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The challenges of new drug discovery for oral anti diabetic drugs: Molecular dynamics simulations, pharmacophore modeling and molecular design of PTP1B allosteric inhibitors

Implementing Organization

National Institute Of Pharmaceutical Education And Research (NIPER), Mohali
Principal Investigator
Dr. M. E. Sobhia
Associate Professor
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National Institute Of Pharmaceutical Education And Research (NIPER), Mohali

Project Overview

Study interaction and energy aspects of binding, affinity and selectivity of allosteric inhibitors by performing comparative molecular dynamics and binding free energy calculations on the PTP1B. Study the changes in the protein associated with the simultaneous binding of substrate and allosteric inhibitor at their respective site using molecular dynamics. Structure based and ligand based Pharmacophore model generations and virtual screening of libraries.

Related Research

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Funding Organization
Funding Organization
Department of Science and Technology (DST)
Quick Information
Area of Research
Life Sciences & Biotechnology
Focus Area
Pharmacology
Sanction Amount
₹ 25.00 L
Status
Ongoing
Output
No. of Research Paper
00
Technologies (If Any)
00
No. of PhD Produced
N/A
Startup (If Any)
00
No. of Patents
Filed :00
Grant :00
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