Madhu Chopra

Professor and Coordinator Bioinformatics Facility (BIF), DBT

Molecular Modelling and Anticancer Drug Development
Email: mchopradu16@gmail.commchopra@acbr.du.ac.in

Areas of Research

  1. 1. Molecular Modeling, Drug Design and Bioinformatics
  2. 2. Drug Development and mechanism
  3. 3. Nanotechnology: Nanomaterials and application in drug delivery
  4. My group is doing active research in Computer Assisted Drug Design and Development. Using various computational methods such as pharmacophore modelling, 3D QSAR, virtual screening etc. We have identified several lead compounds against important cancer targets. Along with computational design my group is working towards development of anticancer compounds considering GPCR, HDAC and COX- 2 as molecular Targets. Recently our group designed lead compounds against SARS-CoV-2 targets and is recipient of Drug Discovery Hackathon Phase I- Award (DDH-2020), Open-source drug discovery Hackathon against Covid-19, Organized by Innovation Cell, Ministry of Education. Our group was selected and funded for phase two of the DDH- project to further our research in the area of drug discovery against COVID-19 disease.

    The projects involve detailed mechanistic studies, protein-protein interaction networks (PPIs) of cancer targets in order to find effective combination therapy regimes against various cancer types. In addition, our group is also pursuing synthesis of medicinally important compounds. The group is also involved in isolating natural compounds having anticancer properties using cell based in vitro and in vivo screening methods. Nanoparticle based drug delivery agents is another area where the group is working to give target specific pharmaceutical agents.

    I am also serving as Coordinator of the BIC facility funded by the Department of Biotechnology since 2006. In the year 2020, the support was further extended for a period of five year with Drug development as the major objective of the BIC Centre.

    Ph.D. Guidance: 11 Completed; 05 under progress

    M.Sc. Projects Guided: 55

    Summer Training Projects: 40

    Our future plans include....

    To continue with research projects involving modelling of GPCR, HDAC, cMET: Pharmacophore modelling, 3D QSAR, docking and virtual screening for development of novel lead molecules.

    Virtual screening of plant derived molecules, building databases for virtual screening for drug-like compounds.

    Development of nanoparticle-based drug delivery agents

    Initiate collaborative programmes with other institutions for enriching biodiversity information resources and promoting human resource development in drug discovery and bioinformatics.


    1. 1.Drug Discovery Hackathon Phase I- Award (DDH-2020), open source drug discovery Hackathon against Covid-19, Organised by Innovation Cell, Ministry of Education.
    1. 2.Also selected for Phase II for doing further research in the area of drug discovery against SARS-CoV- 2-entitled, "Targeted screening of hit molecules and modulation of lead compounds for clinical management of COVID-19: In vitro and antiviral evaluation" Rs. 23 lakhs. (July 2021)

    Ongoing Projects:

    1. 1.Research Grant entitled, "Drug repurposing using computer aided design for development of antiviral compounds against COVID19: in silico and in vitro Screening against selected antiviral targets" Rs. 5 lakhs, 2020-21 under Faculty Research Programme of Institute of Eminence (IoE), University of Delhi
    1. 2.Drug Development: From Target Identification, Validation to drug Discovery-Bioinformatics Centre (BIC) at ACBR, Five years (w.e.f 10th Feb 2021), Rs. 1,89,36456/- (189 Lakhs approx.), Sanctioned by Department of Biotechnology (DBT), Govt. of India
    1. 3.Targeted screening of hit molecules and modulation of lead compounds for clinical management of covid 19: in vitro and antiviral evaluation, Drug Discovery Hackathon Phase II, MHRD INNOVATION CELL, Rs. 23 lakhs, 2021-22.
    1. 4.Screening of novel molecules for drug repurposing for development of antiviral therapeutics against COVID19, Institute of Excellence, FRP, University of Delhi, Rs. 3 lakhs, 2020-21.
    1. 5.Creation of Bioinformatics Infrastructure Facility (BIF) at ACBR, Institutional Project Coordinator: Madhu Chopra. Since 2006- 2020, Rs. 1.04 Crore.
    1. 6.DU-DST Purse grant phase II, sanctioned Rs. 1.5 crore to ACBR, co-investigator with other faculty members.
    1. 7.UGC-SAP project, Sanctioned Rs. 1.5 Crore to ACBR, Co-investigator with other faculty members.
    1. 8."Development of Anticancer Therapeutics: Targeting drug loaded nanocarriers to CD44, A Hyaluroan Receptor'' Sanctioned by University of Delhi under DST-PURSE scheme, Rs. 12.89 Lakhs, 2009-september 2013, Madhu Chopra (PI).
    1. 9.Structure Based Design, Synthesis and Evaluation of Histone Deacetylase Inhibitors as Potent Antitumour Agents, Sanctioned by DBT, Rs. 11.68 Lakhs, June 2009-2011, Madhu Chopra (PI), Anil Mishra & Aruna Chhikara (Co-PI).
    1. 10.Delhi University Special Grant for Research Work, Rs. 3 lakhs per year, 2008 - 2016.

    Mentoring following Projects:

    1. Understanding the chromatin architecture and epigenetic factors associated with male specific Nuclease Resistant Chromatin (NRC) in mealybugs as a correlate of genomic imprinting.- Dr. Surbhi Kohli (ICMR, SRF)

    Selected Recent Publications:
    1. 17. Jha, P., Saluja, D., Chopra, M.* (2022) Structure-guided pharmacophore based virtual screening, docking, and molecular dynamics to discover repurposed drugs as novel inhibitors against endoribonuclease Nsp15 of SARS-CoV-2, Received 14 Nov 2021, Accepted 14 May 2022, Published online: 02 Jun 2022.https://doi.org/10.1080/07391102.2022.2079561

    2. 16. Jha,P., Singh, P., Arora, S., Sultan, A., Nayek, A., Ponnusamy, K., Syed, M.A., Dohare, R., Chopra, M. (2022)Integrative multi-omics and in silico analysis reveals the role of ARHGEF1 and its screened antagonist in mild and severe COVID-19 patients, J Cell Biochem Jan 17. doi: 10.1002/jcb.30213. [Wiley, IF 4.429]

    3. 15. Pawar, A., Jha, P., Chopra, M., Chaudhry, U., Saluja, D. (2020) Screening of natural compounds that targets glutamate racemase of Mycobacterium tuberculosis reveals the anti-tubercular potential of flavonoids, Scientific Reports, 10, Article no. 949, Doi: 10.1038/s41598-020-57658-8. [Nature, IF 4.011]

    4. 14. Sharma, M., Jha, P., Verma, P., Chopra, M*. (2019). Combined comparative molecular field analysis, comparative molecular similarity indices analysis, molecular docking and molecular dynamics studies of histone deacetylase 6 inhibitors, Chemical Biology and Drug Design, 93(5): 910-925. https://doi.org/10.1111/cbdd.13488. [Wiley, IF 2.548].

    5. 13. Pawar A, Jha P, Konwar C, Chaudhry U, Chopra M, Saluja D. (2019). Ethambutol targets the glutamate racemase of Mycobacterium tuberculosis-an enzyme involved in peptidoglycan biosynthesis. Appl Microbiol Biotechnol. 103(2):843-851. doi: 10.1007/s00253-018-9518-z. [Springer, IF- 3.913]

    6. 12. Sinha, R., Singh, P., Saini, N. K., Kumar, A., Pathak, R., Chandolia, A., Chopra, M. Bose, M. (2018). Methyl-accepting chemotaxis like Rv3499c (Mce4A) protein in Mycobacterium tuberculosis H37Rv mediates cholesterol-dependent survival. Tuberculosis, 109, 52-60. https://doi.org/10.1016/j.tube.2018.01.004. [Elsevier, IF- 2.576]

    7. 11. Wasim, L., & Chopra, M.* (2018). Synergistic anticancer effect of panobinostat and topoisomerase inhibitors through ROS generation and intrinsic apoptotic pathway induction in cervical cancer cells. Cellular Oncology,41(2), 201-212 . https://doi.org/10.1007/s13402-017-0366-0. [Springer, IF-5.304].

    8. 10. Kumar, P., Wasim, L., Chopra, M.*, & Chhikara, A. (2018). Co-delivery of Vorinostat and Etoposide Via Disulfide Cross-Linked Biodegradable Polymeric Nanogels: Synthesis, Characterization, Biodegradation, and Anticancer Activity. AAPS PharmSciTech, 19(2), 634-647. https://doi.org/10.1208/s12249-017-0863-5. [AAPS, IF- 2.703

    9. 9. Kumari, S., Chowdhury, J., Sikka, M., Verma, P., Jha, P., Mishra, A. K., . Chopra, M.* (2017). Identification of potent cholecystokinin-B receptor antagonists: Synthesis, molecular modeling and anti-cancer activity against pancreatic cancer cells. MedChemComm, 8(7), 1561-1574. https://doi.org/10.1039/ c7md00171a. [Royal Society of Chemistry, IF - 2.394]

    10. 8. Kapoor, H., Yadav, N., Chopra, M., Mahapatra, S. C., & Agrawal, V. (2017). Strong anti-tumorous potential of Nardostachys jatamansi rhizome extract on glioblastoma and In Silico analysis of its molecular drug targets. Current Cancer Drug Targets, 17(1), 74-88. https://doi.org/10.2174/1570163813666161019143740. [Bentham, IF-2.912]

    11. 7. Yadav, N., Kumar, P., Chhikara, A., & Chopra, M.* (2017). Development of 1,3,4-oxadiazole thione based novel anticancer agents: Design, synthesis and in-vitro studies. Biomedicine and Pharmacotherapy, 95, 721-730. https://doi.org/10.1016/j.biopha.2017.08.110. [Elsevier, IF- 4.545]

    12. 6. Kumar, P., Yadav, N., Chhikara, A., Chopra, M.* (2017). Combinatorial Solid Phase Synthesis: Techniques, Characterization and its Application in Drug Development, Current Biochemical Engineering, Vol 4 (1), 9-33. DOI 10.2174/2212711903666160622085741

    13. 5. Kumar, P., Behl, G., Sikka, M., Chhikara, A., & Chopra, M.* (2016). Poly(ethylene glycol)-comethacrylamide-co-acrylic acid based nanogels for delivery of doxorubicin. Journal of Biomaterials Science, Polymer Edition, 27(14). https://doi.org/10.1080/09205063.2016.1207588. [Taylor & Francis, IF-2.121].

    14. 4. Verma, P., Dalal, K., & Chopra, M.* (2016). Pharmacophore development and screening for discovery of potential inhibitors of ADAMTS-4 for osteoarthritis therapy. Journal of Molecular Modeling, 22(8). https://doi.org/10.1007/s00894-016-3035-8. [Springer, IF- 1.507]

    15. 3. Wasim, L., & Chopra, M.* (2016). Panobinostat induces apoptosis via production of reactive oxygen species and synergizes with topoisomerase inhibitors in cervical cancer cells. Biomedicine and Pharmacotherapy, 84. https://doi.org/10.1016/j.biopha.2016.10.057. [Elsevier, IF- 4.545]

    16. 2. Sharma, G., Kapoor, H., Chopra, M., Kumar, K., & Agrawal, V. (2014). Strong larvicidal potential of Artemisia annua leaf extract against malaria (Anopheles stephensi Liston) and dengue (Aedes aegypti L.) vectors and bioassay-driven isolation of the marker compounds. Parasitology Research, 113(1). https://doi.org/10.1007/s00436-013-3644-4. [Springer, IF - 1.843]

    17. 1. Behl, G., Sikka, M., Chhikara, A., & Chopra, M.* (2014). PEG-coumarin based biocompatible selfassembled fluorescent nanoaggregates synthesized via click reactions and studies of aggregation behavior. Journal of Colloid and Interface Science, 416. https://doi.org/10.1016/j.jcis.2013.10.057. [Elsevier, IF-7.489]