Article
Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.
ACS chemical biology - 21 Sept 2012
King Nancy M, Prabu-Jeyabalan Moses, Bandaranayake Rajintha M, Nalam Madhavi N L, Nalivaika Ellen A, Özen Ayşegül, Haliloğlu Türkan, Yilmaz Neşe Kurt, Schiffer Celia A
Abstract excerpt
The development of HIV-1 protease inhibitors has been the historic paradigm of rational structure-based drug design, where structural and thermodynamic analyses have assisted in the discovery of novel inhibitors. While the total enthalpy and entropy change upon binding determine the affinity, often the thermodynamics are considered in terms of inhibitor properties only. In the current study, profound changes are...
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