Literature DB >> 22037050

Design, synthesis and biological evaluation of cycloalkyl arylpyrimidines (CAPYs) as HIV-1 NNRTIs.

Shuang-Xi Gu1, Shi-Qiong Yang, Qiu-Qin He, Xiao-Dong Ma, Fen-Er Chen, Hui-Fang Dai, Erik De Clercq, Jan Balzarini, Christophe Pannecouque.   

Abstract

A series of 18 cycloalkyl arylpyrimidines (CAPYs) were designed from lead compounds diarylpyrimidines (DAPYs), synthesized and evaluated for in vitro anti-HIV activity. Among them, the compound 1p displayed potent anti-HIV-1 activity against WT HIV-1 with an EC(50) value of 0.055 μM and a selectivity index (SI) >7290. The preliminary structure-activity relationship (SAR) of this new series of compounds was also investigated, which enriched the SAR of diarylpyrimidines (DAPYs).
Copyright © 2011 Elsevier Ltd. All rights reserved.

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Year:  2011        PMID: 22037050     DOI: 10.1016/j.bmc.2011.10.002

Source DB:  PubMed          Journal:  Bioorg Med Chem        ISSN: 0968-0896            Impact factor:   3.641


  4 in total

1.  Double Variational Binding--(SMILES) Conformational Analysis by Docking Mechanisms for Anti-HIV Pyrimidine Ligands.

Authors:  Mihai V Putz; Nicoleta A Dudaș; Adriana Isvoran
Journal:  Int J Mol Sci       Date:  2015-08-18       Impact factor: 5.923

2.  The development of an effective synthetic route of rilpivirine.

Authors:  Tao Zhang; Jiapei Yang; Zhongxia Zhou; Zhipeng Fu; Srinivasulu Cherukupalli; Dongwei Kang; Peng Zhan; Xinyong Liu
Journal:  BMC Chem       Date:  2021-04-01

3.  Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors.

Authors:  Genyan Liu; Wenjie Wang; Youlan Wan; Xiulian Ju; Shuangxi Gu
Journal:  Int J Mol Sci       Date:  2018-05-11       Impact factor: 5.923

4.  Scaffold Hopping in Discovery of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: From CH(CN)-DABOs to CH(CN)-DAPYs.

Authors:  Ting-Ting Li; Christophe Pannecouque; Erik De Clercq; Chun-Lin Zhuang; Fen-Er Chen
Journal:  Molecules       Date:  2020-03-30       Impact factor: 4.411

  4 in total

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