Faculty Profile

Dr. Vikas Jaitak
Assistant Professor
Department of Pharmaceutical Sciences and Natural Products
School of Basic and Applied Sciences
Central University of Punjab
Bathinda- 151001
Email Id: vikas.jaitak@cup.edu.in
Mobile: +91-7018558158

 
Education :

Degree/ Certificate

University /Board

Year

Ph. D.

Institute of Himalyan Bioresource Technology (CSIR), Palampur (HP)/ GNDU, Amritsar

2011

B.Ed

Himachal Pradesh University, Shimla

2004

M.Sc.

Guru Nanak Dev University, Amritsar

2003

Experience :
Name of the Institute

Position

Period

Department of Pharmaceutical Sciences and Natural Products (Renamed from Centre for Chemical and Pharmaceutical Sciences), Central University of Punjab, Bathinda

Assistant Professor,

July 2015-Till date

Centre for Chemical and Pharmaceutical Sciences, Central University of Punjab, Bathinda

Assistant Professor,

Dec 2013-July 2015

Centre for Chemical and Pharmaceutical Sciences, Central University of Punjab, Bathinda

Assistant Professor,

July 2011-Dec 2013 (Contractual)

Citations of Research Publications :
My research publications have been cited 1550 times with 
h-index of 19 and
i10-index of 31
(Source: Google Scholar July 29, 2020). Total Impact Factor = 130
Research Areas :
  • Bio-assay Guided Isolation and Characterization of Bioactive compounds from Medicinal and Aromatic Plants for Anticancer, Antioxidant, Anti diabetic and Antimicrobial activities
  • Development of new analytical procedures for determination of bioactive compounds and their quality control
  • Design and Synthesis of Indole and Coumarin Based Heterocyclic Analogs as Anticancer Agent
Professional Recognition/Awards/Scholarship :
  • Reviewer for SERB-Core Grants Program
  • Co-Chairperson in National Seminar on Socio-Legal & Other Challenges for the prevention of Drug Abuse in India: Existing Approaches and Agenda of Reforms at Central University of Punjab, Feb 6-7, 2020
  • Research Grant Award 2018-19 at Central University of Punjab, Bathinda
  • Research Grant Award 2017-18 at Central University of Punjab, Bathinda
  • Research Grant Award 2015-16 at Central University of Punjab, Bathinda
  • Research Grant Award 2014-15 at Central University of Punjab, Bathinda
  • CSIR-Senior Research Fellowship, Dec 2007
  • National Eligibility Test-JRF, June 2007
  • National Eligibility Test-LS, Dec 2005
  • National Eligibility Test-LS, June 2003
Peer recognition :

Editorial Board Member of Journals:

  1. Mini-Reviews in Medicinal Chemistry

Reviewer of Journals:

  1. Bioorganic Chemistry
  2. Bioorganic & Medicinal Chemistry
  3. European Journal of Medicinal Chemistry
  4. Natural Product Research
  5. Annals of Microbiology
  6. Medicinal Chemistry Research
  7. Journal of Agricultural and Food Chemistry
  8. African Journal of Pharmacy and Pharmacology
  9. Pharmaceutical Biology
  10. Phytotherapy Research
  11. Phytochemistry
  12. RSC Advances
  13. Mini-Review in Medicinal chemistry
  14. International Journal of Food Sciences and Technology
  15. Expert Review of Respiratory Medicine
  16. Anticancer Agents in Medicinal Chemistry
  17. Synthetic Communications
  18. Inorganica Chimica Acta
  19. Current Drug Targets
  20. Current Medicinal Chemistry
Publications :
  1. Dhiman N, Kaur K, Jaitak V. (2020) Tetrazoles as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies. Bioorganic & Medicinal Chemistry  28: 1-22 [Impact factor (IF) = 3.073]
  2.  Majeed A, Singh A, Sharma RK, Jaitak V, Bhardwaj P. (2020) Comprehensive temporal reprogramming ensures dynamicity of transcriptomic profile for adaptive response in Taxus contorta. Molecular Genetics and Genomics (in Press) [Impact factor (IF) = 2.797]
  3. Thakur A, Kaur K, Sharma P, Singla R, Singh S, Jaitak V. (2020) Synthesis, In-vitro and Docking Analysis of C-3 substituted Coumarin Analogues as Anticancer Agents. Current Computer-aided Drug Design (in Press) [Impact factor (IF) = 0.935]
  4. Dandriyal J, Kaur K, Jaitak V. (2020) Synthesis and In-silico Studies of C-4 Substituted Coumarin Analogues as Anticancer Agents. Current Computer-aided Drug Design (in press) [Impact factor (IF) = 0.935]
  5. Sharma A, Bhiharee A, Kumar A, Jaitak V. (2020) Antimicrobial Terpenoids as a Potential Substitute in Overcoming Antimicrobial Resistance. Current Drug Targets (in Press)  [Impact factor (IF) = 2.632]
  6. Sharma R, Jaitak V. (2020) Asparagus racemosus (Shatavari) targeting estrogen receptor α: - An in-vitro and in-silico mechanistic study. Natural Products Research 34: 1571-1574 [Impact factor (IF) = 2.060]
  7. Singla R, Singla N, Jaitak V. (2019) Stevia rebaudiana targeting α-amylase: An in-vitro and in-silico mechanistic study. Natural Product Research 33: 548-552[Impact factor (IF) = 2.060]
  8. Mittal RP, Rana A, Jaitak V. (2019) Essential Oils: An Impending Substitute of Synthetic Antimicrobial Agents to Overcome Antimicrobial Resistance. Current Drug Targets 20: 605-624 [Impact factor (IF) = 2.632]
  9. Jasmin, Jaitak V. (2019) A Review on Molecular Mechanism of Flavonoids as Antidiabetic Agents. Mini-Reviews in Medicinal Chemistry 19: 762-786  [Impact factor (IF) = 2.733]
  10. Kaur K, Jaitak V. (2019) Recent Development in Indole Derivatives as Anticancer Agents for Breast Cancer. Anti-Cancer Agents in Medicinal Chemistry 19: 962-982 [Impact factor (IF) = 2.049]
  11. Kumar A, Jaitak V. (2019) Natural Products as Multidrug Resistance Modulators in Cancer. European Journal of Medicinal Chemistry 176: 268-291 [Impact factor (IF) = 5.572]
  12. Choudhary S, Thakur S, Jaitak V, Bhardwaj P. (2019) Gene and metabolite profiling reveals flowering and survival strategies in Himalayan Rhododendron arboretum. Gene 690: 1-10 [Impact factor (IF) = 2.984]
  13. Stappen I, Tabanca N, Ali A, Wanner J, Lal B, Jaitak V, Wedge DE, Kaul VK, Schmidt E, Jirovetz L. (2018) Antifungal and repellent activities of the essential oils from three aromatic herbs from western Himalaya. Open Chemistry 16: 306–316 [Impact factor (IF) = 1.216]
  14. Panigrahi PP, Singla R, Bansal A, Junior MC, Jaitak V, Yenamalli RM, Singh TR. (2018) In silico Screening and Molecular Interaction Studies of Tetrahydrocannabinol And its Derivatives with Acetylcholine Binding Protein. Current Chemical Biology 12: 181-190 [Impact factor (IF) = 0.940]
  15. Singla R, Jaitak V. (2018) Recent Advances in Plant Metabolites Analysis, Isolation, and Characterization. Recent Trends and Techniques in Plant Metabolic Engineering, Ed. S.K.Yadav, V.Yadav, S.P.Singh, Chapter 5, Springer; 1-179, 2018
  16. Kumar M, Singla R, Dandriyal J, Jaitak V. (2018) Coumarin Derivatives as Anticancer Agents for Lung Cancer Therapy: A Review. Anticancer Agents in Medicinal Chemistry 18: 964-984 [Impact factor (IF) = 2.049]
  17. Singla R, Gupta KB, Upadhayay S, Dhiman M, Jaitak V. (2018) Design, synthesis and biological evaluation of novel indolexanthendione hybrids as selective estrogen receptor modulators. Bioorganic & Medicinal Chemistry 26: 266-277  [Impact factor (IF) = 3.073]
  18. Singla R, Gupta KB, Upadhayay S, Dhiman M, Jaitak V. (2018) Design, Synthesis and Biological Evaluation of Novel Indole-Benzimidazole hybrids Targeting Estrogen Receptor Alpha (ER-α). European Journal of Medicinal Chemistry  46: 206-219 [Impact factor (IF) = 5.572]
  19. Singla R, Gupta KB, Upadhayay S, Dhiman M, Jaitak V. (2018) Identification of Novel Indole Based Heterocycles as Selective Estrogen Receptor Modulator. Bioorganic Chemistry 79: 72-88 [Impact factor (IF) = 3.073]
  20. Jasmin, Singla R, Jaitak V. (2018) In Silico Study of flavonoids as DPP-4 and α-glucosidase inhibitors. Letters in Drug Design & Discovery 15: 634-642 [Impact factor (IF) = 1.169]
  21. Bhalla Y, Singla R, Jaitak V, Sapra S. (2017) An in-silico approach on essential oil molecules as apoptosis inducer in cancer chemotherapy. Innovations in Pharmaceuticals and Pharmacotherapy4: 10-21 [Impact factor (IF) = 0.654]
  22. Stappen I, Tabanca N, Ali A, Wedge DE, Wanner J, Gochev V, Jaitak V, Lal B, Kaul VK, Schmidt E, Jirovetz L. (2017) Biological Activity of Bunium persicum Essential Oil from Western Himalaya. Planta Medica International Open 4: e52-e58 [Impact factor (IF) = 2.74]
  23. Singla R, Jaitak V. (2017) Multitargeted Molecular Docking Study of Natural-Derived Alkaloids on Breast Cancer Pathway Components. Current Computer-Aided Drug Design13: 294-302 [Impact factor (IF) = 0.935]
  24. Gupta VK, Kaur R, Singla R, Jaitak V. (2016). Photoprotective, antioxidant screening and new ester from dry root extracts of Potentilla atrosanguinea (Himalayan cinquefoil). South African Journal Journal of Botany 103: 49-53[Impact factor (IF) = 1.792]
  25. Vishwakarma GS, Gautam N, Babu JN, Mittal S, Jaitak V. (2016) Polymeric Encapsulates of Essential Oils and their Constituents: A Review of Preparation Techniques, Characterization and Sustainable Release Mechanisms. Polymer Reviews 56: 668-701[Impact factor (IF) = 6.383]
  26. Dandriyal J, Singla R, Kumar M, Jaitak V. (2016). Recent Developments of C-4 substituted Coumarin Derivatives as Anticancer Agents. European Journal of Medicinal Chemistry 119: 141-168 [Impact factor (IF) = 5.572]
  27. Sidhu JS, Singla R, Mayank, Jaitak V. (2016) Indole Derivatives as Anticancer Agents for Breast Cancer Therapy: A Review. Anticancer Agents in Medicinal Chemistry 16: 160-173 [Impact factor (IF) = 2.049]
  28. Mayank, Jaitak V. (2016) Molecular Docking Study of Natural Alkaloids as Multi-targeted Hedgehog Pathway Inhibitors in Cancer Stem Cell Therapy. Computational Biology and Chemistry 62: 145-154 [Impact factor (IF) = 1.850]
  29. Singla R, Jaitak V. (2016) Synthesis of Rebaudioside A from Stevioside and their Interaction Model with hTAS2R4 Bitter Taste Receptor. Phytochemistry 125: 106-111 [Impact factor (IF) = 3.044]
  30. Singla R, Jaitak V. (2015) Molecular Docking Simulation Study of Phytoestrogens from Asparagus racemosus in Breast Cancer Progression. International Journal of Pharmaceutical Sciences and Research  6: 172-182 [Impact factor (IF) = 1.230]
  31. Stappen I, Wanner J, Tabanca N, Wedge DE, Ali A, Kaul VK, Lal B, Jaitak V, Gochev VK, Schmidt E, Jirovetz L. (2015) Chemical Composition and Biological Activity of Essential Oils of Dracocephalum heterophyllum Benth. and Hyssopus officinalis L.collected wild from Western Himalaya. Natural Product Communications 10: 133-138 [Impact factor (IF) = 0.468]
  32. Mayank, Jaitak V. (2015) Interaction Model of Steviol glycosides from Stevia rebaudiana (Bertoni) with Sweet Taste Receptors: A Computational Approach. Phytochemistry116: 12-20 [Impact factor (IF) = 3.044]
  33. Thakur A, Singla R, Jaitak V. (2015) Coumarins as anticancer agents: A review on synthetic strategies, mechanism of action and SAR studies. European Journal of Medicinal Chemistry 101: 476-495 [Impact factor (IF) = 5.572]
  34. Stappen ITabanca NAli AWedge DEWanner JKaul VKLal BJaitak VGochev VKSchmidt EJirovetz L. (2015) Chemical Composition and Biological Activity of Essential Oils from Wild Growing Aromatic Plant Species of Skimmia laureola and Juniperus macropoda from Western Himalaya. Natural Product Communications 10: 1071-1074 [Impact factor (IF) = 0.468]
  35. Stappen I, Ali A, Tabanca N, Khan IA, Wanner J, Gochev VK, Singh V, Lal B, Jaitak V, Kaul VK, Schmidt E, Jirovetz L. (2015) Antimicrobial and Repellent Activity of the Essential Oils of Two Lamiaceae Cultivated in Western Himalaya.Current Bioactive Compounds [Impact factor11:23-30 (IF) = 0.37]
  36. Gupta VK, Bhalla Y, Jaitak V. (2014) Impact of ABC transporters, glutathione conjugates in MDR and their modulation by flavonoids: an overview. Medicinal Chemistry Research 23: 1-15 [Impact factor (IF) = 1.783]
  37. Insan MB, Jaitak V. (2014) New approaches to target Cancer Stem Cells: Current scenario. Mini-review in Medicinal Chemistry 14: 20-34 [Impact factor (IF) = 2.733]
  38. Singla R, Jaitak V. (2014) Shatavari (Asparagus racemosus Wild): A review on its Ethnobotany, Phytochemistry and Pharmacological importance. International Journal of Pharmaceutical Sciences and Research 5: 742-757 [Impact factor (IF) = 1.230]
  39. Firenzuoli F, Jaitak V, Horvath G, Bassolé IHN, Setzer WN, Gori L. (2014) Essential Oils: New Perspectives in Human Health and Wellness. Evidence-Based Complementary and Alternative Medicine 2014: 1-2 [Impact factor (IF) =1.813]
  40. Stappen I, Wanner J, Tabanca N, Wedge DE, Ali A, Khan IA, Kaul VK, Lal B, Jaitak V, Gochev V, Girova T, Stoyanova, Schmidt E, Jirovetz L. (2014) Chemical composition and biological effects of Artemisia essential oils from Western Himalaya. Planta Medica 80: 1079-1087 [Impact factor (IF) =2.687]
  41. Mayank, Jaitak V. (2014) Drug Targeting Strategies in Breast Cancer Treatment: Recent Updates. Anticancer Agents in Medicinal Chemistry 4: 1414-1427 [Impact factor (IF) = 2.049]
  42. Monga P, Kaur R, Jaitak V. (2014) In-vitro antimutagenic potential of Potentilla fulgens: A Western Himalayan Plant. Journal of Natural Remedies 14: 26-34 [Impact factor (IF) = 0.21]
  43.  Jaitak V, Kaul VK, Das P. (2013) Enviornmentally benign Michael and Claisen Schmidt reaction of aryl carbonyl compounds by alkali exchange resin. Indian Journal of Chemistry B 52B, 1137-1145[Impact factor (IF) = 0.489]
  44. Bhalla Y, Gupta VK, Jaitak V. (2013) Anticancer activity of essential oils: A review. Journal of the Science of Food and Agriculture 93, 3643-3653 [Impact factor (IF) = 2.614]
  45. Singla R, Kaur R, Arora S, Jaitak V. (2013) In-vitro anti-mutagenic activity of Asparagus racemosus- An Ayurvedic medicinal plant. American Journal of Drug discovery and Development3: 286-292 [Impact factor (IF) = 0.108]
  46. Saini R, Jaitak V, Guleria S, Kaul VK, Babu GDK, Singh B, Lal B, Singh RD. (2012) Comparison of headspace analysis of hydrodistilled and supercritical fluid extracted oil of Capillipedium parviflorum. Journal of Essential Oil Research 24: 315-320[Impact factor (IF) = 0.98]
  47. Jaitak V, Bandna, Kaul VK, Das P, Kumar N, Singh B. (2011) One pot multicomponent Michael-Thorpe Ziegler reaction of aryl methyl ketone. Synthetic Communication41: 2727-2737[Impact factor (IF) = 1.520]
  48. Guleria S, Saini R, Jaitak V, Kaul VK, Lal B, Rahi P, Gulati A, Singh B. (2011) Volatile oil composition and antimicrobial activity of the essential oil of Heracleum thomsonii (Clarke) from cold desert western Himalaya. Natural Product Research25: 1250-1260 [Impact factor (IF) = 2.060]
  49. Guleria S, Jaitak V, Saini R, Kaul VK, Lal B, Kiran Babu GD, Singh B, Singh RD. (2011) Comparative studies of volatile oil composition of Rhododendron anthopogon by hydrodistillation, supercritical carbon dioxide extraction and head space analysis. Natural Product Research 25: 1271-1277[Impact factor (IF) = 2.060]
  50. Jaitak V, Kaul K, Kaul VK, Singh V, Singh B. (2011) Stevia rebaudiana- a natural substitute for sugar. Genetic Resources, Chromosome Engineering, and Crop Improvement: Medicinal Plants: Medicinal Plants, Ed. Ram J. Singh: University of Illinois, Urbana, USA; Chapter 26, Vol 6, CRC Press USA; 1-1056, 2011. 
  51. Kaul K, Jaitak V, Kaul VK. (2011) Review on pharmaceutical properties and conservation measures of Potentilla fulgens Wall. Ex Hook. A medicinal endangered herb of higher Himalaya. Indian Journal of Natural Products and Resources[Impact factor (IF) = 0.11]
  52. Jaitak V, Sharma K, Kalia K, Kumar N, Singh HP,Singh B, Kaul VK. (2010) Antioxidant activity of Potentilla flgens: An alpine plant of western Himalya. Journal of Food Composition and Analysis23: 142-147 [Impact factor (IF) = 3.721]
  53. Kurade NP, Jaitak V, Kaul VK, Sharma OP. (2010) Chemical composition and antibacterial activity of essential oil of Lantana camara, Ageratum houstianum and Eupatoronium adenophorum. Pharmaceutical  Biology 48: 539-544 [Impact factor (IF) = 2.490]
  54. Jaitak V, Kaul VK, Himlata, Kumar N, Singh B, Dhar J, Sharma OP. (2010) New Hopane Triterpenes and antioxidant constituents from Potentilla  fulgens. Natural Product Communication 5: 1561-1566 [Impact factor (IF) = 0.468]
  55. Jaitak V, Bandna, Singh B, Kaul VK. (2009) An efficient microwave-assisted extraction process of stevioside and rebaudioside-A from S.rebaudiana. Phytochemical Analysis 20: 240-245[Impact factor (IF) = 2.772]
  56. Jaitak V, Kaul VK, Bandna, Kumar N, Singh B, Laxman. (2009) S. Savergave, V.V.Jogdand, Sanjay Nene. Simple and efficient enzymatic transglycosylation of stevioside by β-cyclodextringlucanotransferase from Bacillus firmus. Biotechnology Letters 31: 1415-1420 [Impact factor (IF) = 1.977]
  57. Bandna, Jaitak V, Singh B, Kaul VK. (2009) Synthesis of novel acetatesof  caryophyllene under solvent free lewis acid catalysis.Natural Product Research 23: 1445-1450 [Impact factor (IF) = 2.060]
  58. Jaitak V, Gupta AP, Kaul VK, Ahuja PS. (2008) Validated high-performance thin-layer chromatography method for steviol glycosides in Stevia rebaudiana. Journal of Pharmaceutical and Biomedical Analysis 47: 790-794[Impact factor (IF) = 3.00]
  59. Jaitak V, Singh B, Kaul VK. (2008) Variabilty of volatile constituentsin Artemisia maritima in western Himalaya. Natural Product Research 22: 565-568 [Impact factor (IF) = 2.060]
Research Grants :

Ongoing

  1. Studies on P-gp (Permeability glycoprotein) inhibition and anticancer potential of Potentilla fulgens, Potentilla atrosanguinea and characterisation of its active constituents
    Project Funded by Council for Scientific and Industrial Research (CSIR), India- 29.5 lacs

Completed

  1. Synthesis of Rebaudioside-A: Natural Substitute for sugar from Stevia rebaudiana (Bertoni), Funded by DST Fast track Project- 25.5 lacs
  2. Chemical investigation, Antidiabetic and Anticancer study of Stevia rebaudiana (Bertoni)  through invitro and insilico approach Project, Funded by UGC Start- up – 6 lacs
  3. Comparative assessment of  marine macroalgae Ulva, Gracilaria and Sargassum from Indian coastal region for anticancer natural products, Funded by Ministry of Earth Sciences (MoES), Government of India (Co-PI) - 40 lacs
  4. Studies on Phytoestrogens as anticancer agents from Asparagus racemosus (Shatavari) used in Breast cancer chemotherapy, Research Seed Money, Central University of Punjab, Bathinda (Pb.), India- 3.0 lacs
Teaching :

Ph.D. Students

Completed:

  1. Ramit Singla, Design, Synthesis and Evaluation of Indole Based Compounds as Putative Anticancer Agents

Ongoing:

  1. Amit Kumar (Research Associate)
  2. Kamalpreet Kaur (CSIR NET SRF)
  3. Digvijay Singh Yadav (as Co-Supervisor)
  4. Alka Rani (as Co-Supervisor)

 

M.Pharm.

Completed:

  1. Synthesis and In silico study of Indole based Tetrazole derivatives as Putative Anticancer Agents-Neha Dhiman (Central University of Punjab Regn No: 18mpharm12).
  2. Synthesis and Molecular Docking Study of Indole Based Compounds as Anticancer agents- Neha Devi (Central University of Punjab Regn No: 18mpharm12).
  3. Extraction and Antimicrobial Activity of Potentilla fulgens Roots from Western Himalayas- Awadh Biharee (Central University of Punjab Regn No: 18mpharm08).
  4. Extraction, Phytochemical screening and in vitro antibacterial activity of Potentilla atrosanguinea roots- Aditi Sharma (Central University of Punjab Regn No: 18mphyto15).
  5. Extraction and Phytochemical Investigation of Secondary Metabolites from Asparagus racemosus roots- Ankur Kumar (Central University of Punjab Regn No: 18mphyto05).
  6. Extraction, Isolation and In-silico Study of Steviol glycosides of Stevia rebaudiana Bertoni- Tamanna Poswal (Central University of Punjab Regn No: 18mphyto14).
  7. Antioxidant and Photoprotective Activities of Potentilla fulgens roots from Western Himalayas- Gandi Sony Pears (Central University of Punjab Regn No: 17mpharm 17).
  8. Comparative Study of Photoprotective and Antioxidant Activities of Different Potentilla atrosanguineae Root Extracts by Different Extraction Techniques- Ankit Kumar (Central University of Punjab Regn No: 17mpharm 11).
  9. Effect of Different Extraction Techniques on Content of Stevioside and Rebaudioside A in Stevia rebaudiana-  Sahil Verma Central University of Punjab Regn No: 17mphyto 03).
  10. In-vitro and In-silico study of  fruit part of Calotropis procera for antibacterial activity- Sonakshi Chaudhary(Central University of Punjab Regn No: 17mphyto05).
  11. Antiproliferative activity of Asparagus racemosus extracts- Mr. Ram Sharma (Central University of Punjab Regn No: 16mpharm02).
  12. Phytochemical investigation and anti-proliferative potential of dormant and germinated seed extract from Cucurbita pepo (Pumpkin)- Mr. Souvik Mukherjee (Central University of Punjab Regn No: 16mphyto01).
  13. Chemical investigation and anti-proliferative screening of extracts from Stevia rebaudiana (Bertoni)- Ms Aditi Saxena (Central University of Punjab Regn No: 16mphyto03).
  14. In vitro and Insilico study of secondary metabolites from Calotropis procera- Mr Partha Pratim Das (Central University of Punjab Regn No: 16mphyto05).
  15. Phytochemical investigation and anti-proliferative activity of Nigella sativa Linn Seeds- Mr. Saptarshi Samajdar (Central University of Punjab Regn No: 16mphyto02).
  16. Synthesis and In Silico Screening of Indole based 1, 4-Dihydropyridine Derivatives as Anticancer Agents- Mr. Kunal Prakash (Central University of Punjab Regn No: 15mpharm01).
  17. Synthesis and In-silico screening of C-3 Substituted Coumarin Derivatives as α-amylase Inhibitors- Mr. Ashish Sharma (Central University of Punjab Regn No: 15mpharm08).
  18. Design, Synthesis and In-silico Screening of C-4 Substituted Coumarin Derivatives as Putative Anti-proliferative Agents for Breast Cancer” - Miss Jyoti Dandriyal (Central University of Punjab Regn No: CUPB/M.Pharm-MC/SBAS/CPS/2014-15/05.
  19. Design, Synthesis and Screening of C-3 Substituted Coumarin Derivatives as Putative Anti-proliferative Agents for Lung Cancer” – Mr. Manvendera Kumar (Central University of Punjab Regn No: CUPB/M.Pharm-MC/SBAS/CPS/2014-15/02
  20. Design and Synthesis of Indole derivatives as Putative Anti-proliferative Agents - Mr. Jagpreet Singh (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2013-14/03).
  21. Invitro and Insilico Study of Phytoestrogens from Asparagus racemosus  in breast cancer therapy - Miss Shivani Sharma (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2013-14/04).
  22. Design and Synthesis of Coumarin Derivatives as Putative Anti-proliferative Agents” - Miss Anuradha Thakur (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2013-14/09).
  23. Phytochemical investigation of natural sweetener from Stevia rebaudiana - Mr. Mayank (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2012-13/03).
  24. Anticancer activity of Cassia fistula linn. through Invitro and insilico approach- Miss Akanksha Sharma (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2012-13/09).
  25. In-Vitro Bio-Assay Guided Fractionation of Crude Root Extracts of Potentilla atrosanguinea Lodd. and In-Silico Study of Polyphenolic Compounds with MDR receptors in Cancer Chemotherapy”   Mr. Vinay Kumar Gupta (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2011-12/07).
  26. Integrated in-vitro antioxidant and in-silico anti-apoptotic study of Aconitum heterophyllum Wall - Ms. Yashika Bhalla (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2011-12/09).
  27. Phytochemical Investigation and Biological evaluation of secondary metabolites from Asparagus racemosus through in-vitro and in-silico approach”- Ramit Singla (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2011-12/03).
  28. Phytochemical investigation, in vitro anti-mutagenic activity of Potentilla fulgens Lodd. and in-silico study of flavonoids with CDK-2, CDK-6 receptors” - Miss Prakriti Monga (Central University of Punjab Regn No: CUPB/M.PHARM-MC/SBAS/CPS/2011-12/08).

Ongoing: 4 Students

M.Sc. thesis supervised

  1. Molecular modelling study of terpenoids on MenB enzyme as Antimicrobial agent- Rahul Verma (Central University of Punjab Regn No:18mscchs 16).
  2. Synthesis and Insilico study of Indole derivatives as Aromatase Inhibitor- Vinay Kumar (Central University of Punjab Regn No:17mscchs 03).
  3. Synthesis and In-Silico Study of C-3 Substituted Coumarin Derivatives as α-Amylase Inhibitors- Mannat Rani (Central University of Punjab Regn No:17mscchs 13).
  4. In Silico study of flavonoids as ABC Transporter (P-gp, BCRP and MRP1) Inhibitors in Cancer Chemotherapy. Miss Anupama Sharma (Central University of Punjab Regn No:16mscchs 03).
  5. In Vitro and In Silico study of essential oil components from Eucalyptus tereticornis as antibacterial agents. Miss Avantika Bhardwaj (Central University of Punjab Regn No:16mscchs 4).
  6. In silico Study of Essential Oil constituents from Eucalyptus tereticornis against HPPK, DHPS and DHFR bacterial enzymes- Mr. Abhilash Rana (Central University of Punjab Regn No: 15mscchs 12).
  7. In Vitro and In Silico Anticancer Studies of Secondary Metabolites from Pleurotus ostreatus. Miss Jyoti Yadav (Central University of Punjab Regn No:15mscchs 4).
  8. In Silico Study of Steviol Glycosides from Stevia rebaudiana (Bertoni) on Taste Receptors– Miss Poonam Salaria (Central University of Punjab Regn No:15mscchs 12).
  9. In Silico Study of Flavonoids as Estrone Sulfatase and 17β-Hydroxysteroid Dehydrogenase Inhibitors in Breast Cancer– Miss Navdeep Kaur (Central University of Punjab Regn No: CUPB/MSc/SBAS/CPS/2014-15/07).
  10. In-vitro and in-silico study of secondary metabolites from Stevia rebaudiana (Bertoni) as anti-diabetic agents– Mr. Navdeep Singla (Central University of Punjab Regn No: CUPB/MSc/SBAS/CPS/2014-15/02).
  11. In silico Study of Flavonoids as α-amylase and α-glucosidase Inhibitors– Mr. Virender Singh (Central University of Punjab Regn No: CUPB/MSc/SBAS/CPS/2014-15/08).
  12. Chemical composition and anti-bacterial evaluation of essential oils from Azadirachta indica– Miss Rajinder Pal Mittal (Central University of Punjab Regn No: CUPB/MSC/SBAS/CPS/2013-14/02).
  13. In silico study of flavonoids for anti-breast cancer potential– Miss Khushboo (Central University of Punjab Regn No: CUPB/MSC/SBAS/CPS/2013-14/04).
  14. Molecular modelling study of flavonoids for their anti-diabetic properties– Miss Jasmin (Central University of Punjab Regn No: CUPB/MSC/SBAS/CPS/2013-14/08).
Conferences/Symposiums/Workshops :

Organized

  1. Two Day Workshop and Hand-on Training on “High-Performance Thin Layer Chromatography (HPTLC)” organised at Central University of Punjab on December 5-6, 2019.
  2. Two Day Workshop on “Advanced Computer-Aided Drug Design and Computational Biology” organized by the Central University of Punjab, Bathinda on December 18-19, 2019.
  3. Three day workshop on “ Advanced Workshop on Molecular Docking, Virtual Screening and Computational Biology” organized by the Central University of Punjab, Bathinda on November 15-17, 2017.
  4. Two Day Workshop on “Drug Design, Molecular Docking, Virtual Screening and Pharmacoinformatics” organised at Central University of Punjab on November 26-28, 2015.

Attended

  1. Kamalpreet Kaur, Vikas Jaitak, International Conference on “Chemical Constellation Cheminar-2019 (C3-2019)”, organized by Department of Chemistry, Dr B R Ambedkar National Institute of Technology Jalandhar on October 12-13, 2019.
  2. Invited Lecture: Vikas Jaitak, Synthesis of Natural Sweeteners and their interaction model with taste receptors: International Conference on Metabolomics-ICOM 2018, Bangkok Thailand on dated February 26-28, 2018.
  3. Amit Kumar, Vikas Jaitak, Natural Products as Multidrug resistance modulators: 6th Biennial International Conference on New Developments in Drug Discovery from Natural Products and Traditional Medicines, NIPER, Mohali on dated Nov 15-17, 2018
  4. Invited Lecture: Vikas Jaitak, Synthesis of Rebaudioside A from Stevioside and their Interaction Model with hTAS2R4 Bitter Taste Receptor. 9th Symposium of the European Stevia Association (EUSTAS), Gothenburg, Sweden on dated September15-16, 2016.
  5. Ramit Singla, Vikas Jaitak, Exploration of Molecular Interaction of Steviol Glycosides from Stevia rebaudiana (Bertoni) with Sweet Taste Receptors: A Computational Approach. 9th Symposium of the European Stevia Association (EUSTAS), Gothenburg, Sweden on dated September15-16, 2016.
  6. Ramit Singla, Vikas Jaitak, Phytoestrogens from Asparagus racemosus targeting breast cancer pathway components. ISBOC-10 an IUPAC's International Symposium on Bio-Organic Chemistry. January 11-15, 2015, Indian Institute of Science Education and Research, Pune, India.
  7. Invited Lecture: Vikas Jaitak, Stevia rebaudiana: Natural substitute for sugar. The Biennial International Conference on Drug Discovery from Natural Products and Traditional Medicines (DDNPTM-2014), 20 - 22 November 2014, NIPER Mohali
  8. Anuradha Thakur, Vikas Jaitak, Coumarins: An emerging invaluable agent with potential anticancer property. One day symposium on Recent Trends in Molecular Medicine, Dec 5, 2014, Central University of Punjab, Bathinda
  9. Ramit Singla, Vikas Jaitak, Asparagus racemosus Wild: An Emerging Plant of Enormous Medicinal and Phytochemical Importance. One day symposium on Recent Trends in Molecular Medicine, Dec 5, 2014, Central University of Punjab, Bathinda.
  10. Mayank, Akanksha Sharma, Vikas Jaitak. Multi-targeted Breast Cancer chemotherapy- Answer to Existing problems. 50th Annual Convension of chemists, Golden Jubilee Celebrations of Indian Chemical Society, at Panjab University Chandigarh, December 04-07, 2013.
  11. Vikas Jaitak. National seminar on Enviornment and Health. Central University of Punjab Bathinda, 27th Sept 2011.
  12. V.K.Kaul, Vikas Jaitak, G.D.Kiran Babu, K.Kaul, B. Singh & P.S.Ahuja. Stevia rebaudiana –Current status & future prospects. International symposium on current status and oppurtunities in aromatic and medicinal plants. CIMAP, Lucknow, Feb 21-24, 2010.
  13. V.K.Kaul, Vikas Jaitak, G.D. Kiran Babu. Stevia rebaudiana-A wonder plant for diabetes. Symposium on natural products in health & disease. Biochemical and Molecular mechanisms. PU Chandigarh, March 5-6, 2010.
  14. Vikas Jaitak, V.K.Kaul, GD Kiran Babu, Bikram Singh & PS Ahuja. Symposium on prospects of stevia. Institute of Himalyan Bioresource Technology (CSIR), Palampur (HP), Sept 24-25, 2010.
  15. Vikas Jaitak, Kiran Kaul, V.K.Kaul, GD Kiran Babu, Bikram Singh & PS Ahuja. Stevia rebaudiana-A natural sweetener for diabetes. International conference on new developments in drug discovery from natural products and traditional medicines. NIPER, Mohali, 20-24 Nov. 2010.
  16. Vikas Jaitak. International conference on “NMR at the interface of Physics Chemistry and Biology” IISER Mohali, 29-30 Nov. 2010.
  17. Vikas Jaitak, Bandna, Bikram Singh, V.K.Kaul “An efficient microwave Assisted extraction of stevioside and rebaudioside-A from S.renaudiana. Poster presentation organised by ISAS, IHBT, Palampur ,November 23-25 (2008)
  18. Vikas Jaitak, V.K. Kaul, Bikram Singh “Enzymatic biotransformation for upgradation of stevioside (Poster # P-5) Bio, Nano, Geo Sciences, addressing issues of concern to mankind. Sponsored by Humbold Academy Chandigarh and Kanpur and held at IHBT Palampur (HP) March 24-26 (2006)
  19. Vikas Jaitak. Society of Biopesticide Sciences, IPRC, Jalandhar, India, Nov 11-13, 2005.

Orientation/Refresher Courses/Training Programmes

  1. Vikas Jaitak, Innovation Ambassdor Training Programme, IIC, MHRD at LPU Phagwara, 16-17 Jan 2020.
  2. Vikas Jaitak, One week National Interdisciplinary workshop on “Recent Advances in Environmental Studies” at Central University of Punjab, Bathinda from March 25 to March 29, 2019
  3. Vikas Jaitak, Science Academies refresher course on Plant Taxonomy, Phytogeography and Ecology held at Central University of Punjab from March 04, 2019 to March 18, 2019.
  4. Vikas Jaitak, Refresher programme sponsored by UGC attended at Punjab University of Patiala dated June 20- July 11, 2016
  5. Vikas Jaitak, Orientation Programme sponsored by UGC attended at Punjab University of Patiala dated June 15- July 11, 2015

E-Sessions Attended

  1. Vikas Jaitak, E-Session
on
National Innovation and Startup Policy (NISP) for students and faculty in HEIs, with Dipan Sahu National Coordinator - NISP, ARIIA, IIC, MBA in IEV Program MHRD’s Innovation Cell, AICTE, New Delhi, dated April 21, 2020.
  2. Vikas Jaitak, Leadership talk with Prof DP Singh, Chairman UGC, MHRD Innovation cell, dated May 09, 2020.
  3. Vikas Jaitak, Leadership talk with Dr Pramod Chaudhary, Founder, Chairman, Praj Industries Limited and Dr Abhay Jere, Chief Inoovation Officer, IIC, MHRD, dated May 16, 2020.
  4. Vikas Jaitak, IIC Online Sessions conducted by Institution's Innovation Council (IIC) of MHRD's Innovation Cell, New Delhi to promote Innovation, IPR, Entrepreneurship, and Start-ups among HEIs from 28th April to 22nd May 2020 during COVID-19 nationwide lockdown
  5. Vikas Jaitak, AISNP Webinar lecture series on Why Antimicrobial Stewardship held on June 16, 2020 by Amity International Society of Natural Products, Health & Allied Sciences, Amity University
Research Highlights :

Synthesis of Rebaudioside-A: Natural Substitute for sugar from Stevia rebaudiana (Bertoni)

Steviol glycosides (SG’s) from Stevia rebaudiana (Bertoni) have been used as a natural low-calorie sweeteners. Its aftertaste bitterness restricts its use for human consumption and limits its application in food and pharmaceutical products. In present study, we have performed computational analysis in order to investigate the interaction of two major constituents of SG’s against homology model of the hTAS2R4 receptor. Molecular simulation study was performed using stevioside and rebaudioside A revealed that, sugar moiety at the C-3′′ position in rebaudioside A causes restriction of its entry into the receptor site thereby unable to trigger the bitter reception signaling cascade. Encouraged by the current finding, we have also developed a greener route using β-1,3-glucanase from Irpex lacteus for the synthesis of de-bittered rebaudioside A from stevioside. The rebaudioside A obtained was of high quality with percent conversion of 62.5%. The results here reported could be used for the synthesis of rebaudioside A which have large application in food and pharmaceutical industry.

Mayank and Jaitak 2015. Phytochemistry 116: 12-20
Singla and Jaitak 2016. Phytochemistry 125: 106-111

 

Chemical investigation, Antidiabetic and Anticancer study of Stevia rebaudiana (Bertoni)  through invitro and insilico approach

(i). Diabetes mellitus (DM) is the fastest growing metabolic disorder in the world. Recently more attention is paid to the study of natural products due to side effects of synthetic drugs. Stevia rebaudiana (Bertoni) is considered an encouraging starting point for the anti-diabetic lead to developing. In the present study, the in-vitro α-amylase inhibitory activity of the extracts of S. rebaudiana is investigated. In order to understand the molecular mechanism and future pharmacophore development, in-silico study of secondary metabolites isolated from S. rebaudiana was carried out. Results indicated that water extract shows highest α-amylase inhibitory activity as compared to other extracts. Moreover, compound 20 (rebaudioside A) which has been previously reported and isolated from water extract showed the impressive binding profile with α-amylase. Therefore, our study suggests that S. rebaudiana could be used in the development of therapeutic drugs for the treatment of diabetes.

(ii). Cancer is the uncontrolled development of abnormal cells in the body. It is considered as the leading public health problem in both developed and the developing countries. As no drug of cancer is establish to be completely efficient and safe as anticancer therapy and is responsible for the prolonged toxicity and also causes various side effects. Chemoprevention of cancer by natural products is beneficial, as these compounds have the nominal side effects and short of toxicity compared to the synthetic compounds. The study for developing more potent candidates which can obstruct or slow down the expansion of the cancer cells without causing any side effects from phytochemicals are still in progress and many new phytochemicals and its derived analogs have been recognized as potential candidates for anticancer therapy among these one of the potent plant is Stevia rebaudiana. Taking in consideration the above mentioned factors we have investigated the Anticancer potential of extracts of S. rebaudiana. Four extracts was prepared using petroleum ether, chloroform, ethyl acetate and aqueous methanol. T47D cell line have been used to evaluate the anticancer potential using MTT assay. AD-2 that is chloroform extract showing IC50 value of 7.79µg/ml. Moreover IC50 value of AD-4 that is aqueous methanol was also comparatively better and found to be 9.53 µg/ml and AD-1 that is petroleum ether had shown IC50 value of 9.58µg/ml. Thus, various extracts have shown good antiproliferative activity and S. rebaudiana can be further investigated for its anticancer potential. Furthermore docking study on estrogen receptor–alpha receptor discovered that the phytochemicals of the plant have good binding affinity and can be suitably customized to search its anticancer potential. Thus on the basis of in-vitro and in-silico data we can conclude that S. rebaudiana extracts have promising anticancer potential.

Interaction pattern of (A) 4-Hydroxytamoxifen and (B) Rutin with estrogen receptor- alpha (PDB ID 3ERT) showing best docking score

Singla etal 2019. Natural Product Research 33: 548-552.

Studies on Phytoestrogens as anticancer agents from Asparagus racemosus (Shatavari) used in Breast cancer chemotherapy
Breast cancer is a disease where cells in the tissue of the breast, grow and divide without normal control. Breast cancer is second major cause for death in world wide. Importance of natural product increase due to adverse effect of existing synthetic drugs. Asparagus racemosus comprises phytoestrogens which can be used for the treatment of breast cancer. In the current study, In vitro antiproliferative activity of the extracts of A. racemosus is performed in T47D cancer cell lines. Outcomes of the result indicated that aqueous methanol and methanol extract showed excellent antiproliferative activity as compared to bazedoxifene (standard), ethyl acetate and petroleum ether extract. In silico study of reported phytochemical constituents of A. racemosus was performed for understand the molecular mechanism and prospect pharmacophore development. Furthermore compound 26 (rutin) which has been earlier reported and isolated from alcoholic extract exhibited the remarkable binding profile with estrogen receptor α . For that reason our study proposed that A. racemosus could be used as a new source for the treatment of breast cancer.

Sharma and Jaitak 2020. Natural Products Research 34: 1571-1574

List of Medicinal and Aromatic Plants Studied for anticancer, anti diabetic and antimicrobial activities
Stevia rebaudiana, Potentilla fulgens, Potentilla atrosanguinea, Calotropis procera, Asparagus racemosus, Pumpkin, Cassia fistula, Cucurbita pepo, Nigella sativa, Azadirachta indica, Pleurotus ostreatus, Eucalyptus tereticornis, Artemisia maritime, A.capillaris, Heracleum thomsonii,, Lantana camara , Ageratum houstianum, Eupatoronium adenophorum

Design, Synthesis and Biological Evaluation of Novel Indole-Benzimidazole hybrids Targeting Estrogen Receptor Alpha (ER-α)
In the course of efforts to develop novel selective estrogen receptor modulators (SERMs), indole-benzimidazole hybrids were designed and synthesised by fusing the indole nucleus with benzimidazole. All the compounds were first inspected for anti-proliferative activity using ER-α responsive T47D breast cancer cell lines and ER-α binding assay. From this study, two representative bromo substituted compounds 5f and 8f were found to be most active and thus were escalated for gene expression studies for targeting ER-α. Cell imaging experiment clearly suggest that compounds were able to cross cell membrane and accumulate thus causing cytotoxicity. RT-PCR and Western blotting experiments further supported that both compounds altered the expression of mRNA and receptor protein of ER-α, thereby preventing the further transactivation and signalling pathway in T47D cells lines. Structural investigation from induced fit simulation study suggest that compound 5f and 8f bind in antagonistic conformation similar to bazedoxifene by extensive hydrogen bonding and Van der Waals forces. All these results strongly indicate that compound 5f and 8f represents a novel potent ER-α antagonist properties and will proved promising in the discovery of SERM for the management of breast cancer.

Singla etal 2019. European Journal of Medicinal Chemistry 46: 206-219

Design, Synthesis and Biological Evaluation of Novel Indole-Xanthendione hybrids as Selective Estrogen Receptor Modulators
Ground breaking clinical therapeutic advances in the treatment of breast cancer (BC) is the introduction of selective estrogen receptor modulators (SERMs). We have expeditiously designed and synthesized indole-xanthendione hybrids by coalescing the indole nucleus with xanthendione. All the compounds were first screened for anti-proliferative activity, cytotoxicity and ER-α binding affinity by utilizing ER-α dominant T47D BC cell lines, PBMCs and ER-α competitor assay kit. From this study, two representative compounds 6e and 6f showing most promising activity were advanced for gene expression studies for targeting ER-α. Cell imaging experiment undoubtedly indicate that both the compounds were able to cross cellular bio membrane and accumulate thus instigating cytotoxicity. Quantitative RT-PCR and Western blotting experiments further strengthened that both compounds altered the expression of mRNA and receptor protein of ER-α, thereby forestalling downstream transactivation and signalling pathway in T47D cells line. Structural investigation from induced fit simulation study suggest that indole moiety of the compounds 6e and 6f helps in the anchoring of the xanthendione moiety in the hydrophobic region of the cavity thus enabling the compound to bind in antagonistic conformation similar to bazedoxifene by extensive hydrogen bonding and Van der Waals forces. All these finding collectively imply that compound 6e and 6f represents a novel potent ER-α antagonist and in the development of  SERM for the management of BC.

Singla etal 2018. Bioorganic & Medicinal Chemistry 26: 266-277

Identification of Unprecedented Indole Based Heterocycles as Selective Estrogen Receptor Modulator
In the present study, we have designed and synthesized indole derivatives by coalescing the indole nucleus with chromene carbonitrile and dihydropyridine nucleus. Two compounds 5c and 6d were selected from series I and II after sequential combinatorial library generation, docking, absorption, distribution, metabolism and excretion (ADME) filtering, anti-proliferative activity, cytotoxicity, and ER-α competitor assay kit by utilizing estrogen receptor-α (ER-α) dominant T47D BC cells line and PBMCs (Peripheral Blood Mononuclear Cells). Cell imaging experiment suggested that both the compounds successfully cross cellular biomembrane and accumulate in nuclear, cytoplasmic and plasma membrane region. Semiquantitative RT-PCR and Western blotting experiments further supported that both compounds reduced the expression of mRNA and receptor protein of ER-α, thereby preventing downstream transactivation and signaling pathway in T47D cells line. Current findings imply that 5c and 6d represent novel ER-α antagonists and may be used in the development of chemotherapy for the management of BC.

Singla etal 2018. Bioorganic Chemistry 79: 72-88

Synthesis, In-vitro and Docking Analysis of C-3 substituted Coumarin Analogues as Anticancer Agents

Breast cancer (BC) is a leading cause of cancer-related deaths in women next to skin cancer. Estrogen receptors (ERs) play an important role in the progression of BC. Current anticancer agents have several drawbacks such as serious side effects and the emergence of resistance to chemotherapeutic drugs. As coumarins possess minimum side effect along with multi-drug reversal activity, it has a tremendous ability to regulate a diverse range of cellular pathways that can be explored for selective anticancer activity. In this study, the anti-proliferative activity of C-3 substituted coumarins analogues (1-17) has been evaluated against estrogen receptor-positive MCF-7 breast cancer cell lines. Molecular interactions and ADME study of the compounds were analyzed by using Schrodinger software. Among the synthesized analogues 12 and 13 show good antiproliferative activity with IC50 values 1and 1.3 µM respectively. Molecular docking suggests a remarkable binding pose of all the seventeen compounds. Compounds 12 and 13 were found to exhibit dock score of -4.10 kcal/mol and -4.38 kcal/mol respectively.The active compounds can be taken for lead optimization and mechanistic interventions for their in vivo study in the future.


(a)


(b)


(c)

3D and 2D interactions of compound (a) auraptene, (b) 12 and (c) 13 with the target protein ER-α.
Thakur etal 2020. Current Computer-aided Drug Design (Press)

Synthesis and In-silico studies of C-4 substituted Coumarin Analogues as Anticancer Agents
Coumarin is a fused ring system and possesses enormous capability of targeting various receptors participating in cancer pathway. Coumarin and its derivatives were found to exhibit very rare toxicity and other side effects. It has been found its immense anticancer potential depends on the nature of group present and its pattern of substitution on the basic nucleus. C-4 substituted coumarins analogues (1-10) have been synthesized using conventional heating and microwave irradiation. Using Schrodinger software molecular modeling studies were carried out and ADME properties of the compounds were predicted. All the synthesized compounds have shown better G-Score (-6.87 to -8.43 kcal/mol) as compared to the standard drug tamoxifen (-5.28kcal/mol) and auraptene (-3.89kcal/mol). Molecular docking suggests that all compounds fit in the active site of protein as they have the same hydrophobic pocket as standard drug tamoxifen, and have an acceptable range of ADME properties. Microwave-assisted synthesis showed better results as compared to conventional heating. In-silico studies revealed that all the compounds befit in the active site of protein. ADME properties showed that all compounds are in allowable limits for human oral absorption. In future, there is a possibility of in-vitro and in-vivo studies of the synthesized compounds.

   3D interaction diagram of compound (4) and compound (5) with target protein ERα (PDB ID: 3ERT).

Dandriyal etal 2020. Current Computer-aided Drug Design (Press)