Title:Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds
VOLUME: 9 ISSUE: 4
Author(s):Utsab Debnath, Seturam B. Katti and Yenamandra S. Prabhakar
Affiliation:Medicinal and Process Chemistry Division, CSIR-Central Drug Research Institute, Lucknow- 226001, India.
Keywords:Graph theory, topographical indices, QSARs, anti HIV-1 compounds, reverse transcriptase inhibitors, protease
inhibitors, integrase inhibitors.
Abstract:Drug research is a multidisciplinary as well as resource intensive endeavor. In this the center of attention is
biological response of an agent which gives the first insight of the activity (or receptor) space in the backdrop of chemical
landscape. Here, molecular topology has significant role in explaining and exploring different phenomena associated with
the chemical entities. Thus it provides direction to the design of therapeutic agents. In the backdrop the review highlighted
the contribution of topological indices from different concepts in the HIV-1 drug research. In this article selected reports
dealing with the topological descriptors in the QSARs of the anti-HIV-1 compounds acting as reverse transcriptase,
protease and integrase inhibitors are appraised and elaborated.
