Front Cover: Design of Highly Potent, Dual‐Acting and Central‐Nervous‐System‐Penetrating HIV‐1 Protease Inhibitors with Excellent Potency against Multidrug‐Resistant HIV‐1 Variants (ChemMedChem 8/2018)

The Front Cover displays the overlay of the protein–ligand X‐ray structure of an exceptionally potent inhibitor GRL‐14213‐bound HIV‐1 protease. The crown‐like structural architecture of the new P2 ligand has been designed to both maintain the key “backbone binding” interactions similar to darunavir,...

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Published inChemMedChem Vol. 13; no. 8; p. 762
Main Authors Ghosh, Arun K., Rao, Kalapala Venkateswara, Nyalapatla, Prasanth R., Kovela, Satish, Brindisi, Margherita, Osswald, Heather L., Sekhara Reddy, Bhavanam, Agniswamy, Johnson, Wang, Yuan‐Fang, Aoki, Manabu, Hattori, Shin‐ichiro, Weber, Irene T., Mitsuya, Hiroaki
Format Journal Article
LanguageEnglish
Published 23.04.2018
Subjects
antiviral agents
brain penetration
drug resistance
HIV-1 protease
structure-based design
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Summary:The Front Cover displays the overlay of the protein–ligand X‐ray structure of an exceptionally potent inhibitor GRL‐14213‐bound HIV‐1 protease. The crown‐like structural architecture of the new P2 ligand has been designed to both maintain the key “backbone binding” interactions similar to darunavir, as well as to make enhanced van der Waals interactions in the active site. The inhibitor also incorporates an aminobenzothiazole as the P2’‐ligand. The Boilermaker Statue of Purdue University (left) exemplifies an inspirational structural architecture. Art credit: Mr. Steve Scherer. More information can be found in the Full Paper by Arun K. Ghosh et al. on page 803 in Issue 8, 2018 (DOI: 10.1002/cmdc.201700824).
ISSN:1860-7179
1860-7187
DOI:10.1002/cmdc.201800226