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Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities.

Abstract：

:The design, synthesis, biological evaluation, and X-ray structural studies are reported for a series of highly potent HIV-1 protease inhibitors. The inhibitors incorporated stereochemically defined amide-based bicyclic and tricyclic ether derivatives as the P2 ligands with (R)-hydroxyethylaminesulfonamide transition-state isosteres. A number of inhibitors showed excellent HIV-1 protease inhibitory and antiviral activity; however, ligand combination is critical for potency. Inhibitor 4h with a difluorophenylmethyl as the P1 ligand, crown-THF-derived acetamide as the P2 ligand, and a cyclopropylaminobenzothiazole P2'-ligand displayed very potent antiviral activity and maintained excellent antiviral activity against selected multidrug-resistant HIV-1 variants. A high resolution X-ray structure of inhibitor 4h-bound HIV-1 protease provided molecular insight into the binding properties of the new inhibitor.

journal_name

ACS Med Chem Lett

journal_title

ACS medicinal chemistry letters

authors

Ghosh AK,Grillo A,Raghavaiah J,Kovela S,Johnson ME,Kneller DW,Wang YF,Hattori SI,Higashi-Kuwata N,Weber IT,Mitsuya H

doi

10.1021/acsmedchemlett.9b00670

subject

Has Abstract

pub_date

2020-03-03 00:00:00

pages

1965-1972

issue

10

issn

1948-5875

journal_volume

11

pub_type

杂志文章

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