Development Of Potential Reverse Transcriptase Inhibitors: Using Molecular Modeling Studies - Image 1

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LAP Lambert Academic Publishing Development Of Potential Reverse Transcriptase Inhibitors: Using Molecular Modeling Studies

Name: Development Of Potential Reverse Transcriptase Inhibitors: Using Molecular Modeling Studies
Brand: LAP Lambert Academic Publishing
Price: 51.0 GBP
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Pharmacology

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Description

Non-nucleoside reverse transcriptase inhibitors (NNRTI) has a definitive role and most commonly used in treatment of HIV infection. NNRTI act by binding to specific binding site (non-nucleoside binding pocket-NNBP) in reverse transcriptase (RT) enzyme. With the objective of developing efficient NNRTI, we have designed various Isatin analogs for effective treatment of AIDS and were subjected to molecular docking studies on five different crystal structures of RT complexed with five different ligands Nevirapine, Delaviridine, Efavirenz, Etravirine, and Rilpivirine. Combined dock-score of compound N21, N11, N23 was found to be comparable with standards indicated that Isatin analogs have good binding affinity for NNBP. Docking results suggested that these types of compounds could be binding in the NNRTI binding site in a similar mode to a known non-nucleoside inhibitors. ADME properties of Isatin analogs were also analyzed using Qikprop 2.5 tool of Schrodinger software. In the present thesis applications of new computational tools for drug discovery are explored and the details of methodology, results, discussion and conclusions derived are presented.

Product Specifications

Brand: LAP Lambert Academic Publishing
Format: paperback
ASIN: 3845478373
Category: Books > Subjects > Health, Family & Lifestyle > Medical & Healthcare Practitioners > Other Branches of Medicine > Pharmacology
Domain: Amazon UK
Release Date: 30 September 2011
Listed Since: 29 September 2011

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LAP Lambert Academic Publishing Development Of Potential Reverse Transcriptase Inhibitors: Using Molecular Modeling Studies

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