Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives

CORC > 昆明动物研究所 > 昆明动物研究所 > 动物模型与人类重大疾病机理重点实验室 > 分子免疫药理学

	Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives
	Chander S 3; Pang W 4; Sankaranarayanan M[]3; Ashok P 3; Yang LM 4; Zheng YT[]4
刊名	Bioorganic & Medicinal Chemistry Letters
	2017
卷号	27 期号:1 页码:61-65
关键词	Enzymatic assay Wild strain Reverse transcriptase Docking Cytotoxicity
通讯作者	zhengyt@mail.kiz.ac.cn ; murugesan@pilani. bits-pilani.ac.in
合作状况	其它
英文摘要	In this study, using molecular hybridization approach, fourteen novel 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives (7a-n) were designed as inhibitor of HIV-1 RT. The binding affinity of the designed compounds with HIV-1 RT as well as their drug-likeness behavior was predicted using in-silico studies. All the designed compounds were synthesized, characterized and in-vitro evaluated for HIV-1 RT inhibitory activity, in which tested compounds displayed significant to weak potency against the selected target. Moreover, best active compounds of the series, 7k and 7m inhibited the activity of RT with IC50 values 14.18 and 12.26μM respectively. Structure Activity Relationship (SAR) studies were also performed in order to predict the influence of substitution pattern on the RT inhibitory potency. Anti-HIV-1 and cytotoxicity studies of best five RT inhibitor (7a, 7d, 7k, 7L and 7m) revealed that, except compound 7d other compounds retained significant anti-HIV-1 potency with good safety index. Best scoring pose of compound 7m was analysed in order to predict its putative binding mode with wild HIV-1 RT.
收录类别	SCI
资助信息	This work was carried out under a grant from Science and Engineering Research Board of Department of Science and Technology, New Delhi. (Ref. No: SR/ FT/LS-58/2011), the National Science Foundation of China (81102483) and the STS Program of CAS (KFJ-EW-STS-026).
语种	英语
内容类型	期刊论文
源URL	[http://159.226.149.26:8080/handle/152453/10684]
专题	昆明动物研究所_分子免疫药理学昆明动物研究所_动物模型与人类重大疾病机理重点实验室
作者单位	1.Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology & Science, Pilani 333031, Rajasthan, India 2.Laboratory of Molecular Immunopharmacology, Key Laboratory of Animal Models and Human Disease Mechanisms of Chinese Academy of Sciences and Yunnan Province, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223, PR China 3.Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology & Science, Pilani 333031, Rajasthan, India 4.Laboratory of Molecular Immunopharmacology, Key Laboratory of Animal Models and Human Disease Mechanisms of Chinese Academy of Sciences and Yunnan Province, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223, PR China
推荐引用方式 GB/T 7714	Chander S,Pang W,Sankaranarayanan M[*],et al. Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives[J]. Bioorganic & Medicinal Chemistry Letters,2017,27(1):61-65.
APA	Chander S,Pang W,Sankaranarayanan M[],Ashok P,Yang LM,&Zheng YT[].(2017).Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives.Bioorganic & Medicinal Chemistry Letters,27(1),61-65.
MLA	Chander S,et al."Design, synthesis and anti-HIV-1 RT evaluation of 2-(benzyl(4-chlorophenyl)amino)-1-(piperazin-1-yl)ethanone derivatives".Bioorganic & Medicinal Chemistry Letters 27.1(2017):61-65.