The discovery, characterization and crystallographically determined binding mode of an FMOC-containing inhibitor of HIV-1 protease

EE Rutenber, JJ De Voss, L Hoffman, RM Stroud…

Index: Rutenber, Earl E.; De Voss, James J.; Hoffman, Lucas; Stroud, Robert M.; Lee, Kwan H.; Alvarez, Juan; McPhee, Fiona; Craik, Charles; Ortiz De Montellano, Paul R. Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 7 p. 1311 - 1320

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Citation Number: 16

Abstract

A pharmacophore derived from the structure of the dithiolane derivative of haloperidol bound in the active site of the HIV-1 protease (HIV-1 PR) has been used to search a three- dimensional database for new inhibitory frameworks. This search identified an FMOC- protected N-tosyl arginine as a lead candidate. A derivative in which the arginine carboxyl has been converted to an amide has been crystallized with HIV-1 PR and the structure ...