Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

Abstract

General Unrestricted Structure Activity Relationships based evaluation of quinoxaline derivatives as potential influenza NS1A protein inhibitors

Author(s): Vijay H. Masand, Devidas T. Mahajan, Komalsing N. Patil, Nilesh E. Dawale, Taibi Ben Hadda, Ahmed A. Alafeefy, Krushna D. Chinchkhede

In present work, we have performed GUSAR analysis of quinoxaline derivatives, previously reported as potential influenza NS1A protein inhibitors. A robust, statistically sound and thoroughly validated consensus model is obtained. The four parametric model has following statistical characteristics R2 = 0.746, F = 12.897, SD = 0.283, Q2 = 0.645. GUSAR analysis provides idea regarding contribution of each atom in deciding binding with protein. The analysis could be very useful in designing better influenza NS1A protein inhibitors.


PDF