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Mechanism of darunavir binding to monomeric HIV-1 protease: a step forward in the rational design of dimerization inhibitors.

Physical chemistry chemical physics : PCCP - 16 Mar 2022

Ahsan Mohd, Pindi Chinmai, Senapati Sanjib

Abstract excerpt

HIV protease (HIVPR) is a key target in AIDS therapeutics. All ten FDA-approved drugs that compete with substrates in binding to this dimeric enzyme's active site have become ineffective due to the emergence of drug resistant mutants. Blocking the dimerization interface of HIVPR is thus being explored as an alternate strategy. The latest drug, darunavir (DRV), which exhibited a high genetic barrier to viral...

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PMID: 35262154
DOI: 10.1039/d2cp00024e

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