Journal of Advanced Pharmaceutical Science And Technology

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Advanced Pharmaceutical Science And Technology-QSAR modelling-Pawan Gupta


Lovely Professional University.


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Pawan Gupta


Assistant Professor,
School of Pharmaceutical Sciences.
Research Coordinator,
Department of Research and Development,
Lovely Professional University, Phagwara.

Research Interests:

  • QSAR modelling, Pharmacophore mapping, Virtual screening: Fingerprint, Shape and Pharmacophore searching, 2D and 3D, Similarity searching, Homology modelling, Docking studies, Molecular dynamics simulations, In silico toxicities and ADME studies, De novo drug design, Quantum chemical calculations, Data mining.
  • Computer aided drug design, Molecular dynamics simulations, Data mining and Machine learning, Structural biology and Bioinformatics, Comparative genomics, System biology, Molecular biology, Medicinal chemistry.


  • I have done Bachelor in Pharmacy (B.Pharm.) from B.N. College of Pharmacy, (Udaipur), affiliated by University of Rajasthan, Jaipur (India) in 2005.
  • After that I moved to NIPER S.A.S. Nagar for post graduation degree [M.S. (Pharm.) in 2005] in the Department of Pharmacoinformatics and subsequently joined the Ph. D. program in the same department under the supervision of Prof. Prabha Garg and Prof. Nilanjan Roy (Department of Biotechnology).
  • Pharmacoinformatics deals in pharmaceutical sciences, chemoinformatics and bioinformatics with the application in computer aided drug design and discovery.
  • I have more than one year experience in teaching and more than 7 years experience in research (including Ph.D. tenure) in the pharmaceutical and computational sciences at different organizations. 
  • I have gained experience and proficiency in different computational techniques used for ligand based and structure based drug design such as QSAR modeling, pharmacophore mapping, virtual screening, docking, in silico toxicities and ADME prediction of small molecules, 2D and 3D similarity searching, De novo drug design, Homology modeling, Quantum mechanics and Molecular dynamics simulations.
  • I am also curious about Bioinformatics, Comparative genomics and System biology. 
  • I am also willing to work in Synthetic chemistry and Biological laboratories.
  • The future goal of my research career is to utilize the knowledge gained till date to scale further heights in the area of computer aided drug design and molecular modelling, contribute to the drug design and discovery society for identification of novel small scaffolds/molecules/drugs for the different diseases and help to reveal the biological phenomena using computational approaches.