Hit optimization studies of 3-hydroxy-indolin-2-one analogs as potential anti-HIV-1 agents | |
Subhash Chander1,3; Murugesan Sankaranarayanan1; Ashok Penta1; Ping Wang2,4; Deepak P. Bhagwat3; Nicolas Vanthuyne5; Muriel Albalat5; Payal Patel1; Sanskruti Sankpal1; Yong-Tang Zheng2 | |
刊名 | Bioorganic chemistry |
2018 | |
期号 | 79页码:212-222 |
关键词 | Aids Reverse Transcriptase Toxicity Virtual Screening Sar Docking |
DOI | 10.1016/j.bioorg.2018.04.027 |
英文摘要 | In the current study, twenty-two compounds based upon 3-hydroxy-3-(2-oxo-2-phenylethyl)indolin-2-one nucleus were designed, synthesized and in vitro evaluated for HIV-1 RT inhibition and anti-HIV-1 activity. Compounds 3d, 5c and 5e demonstrated encouraging potency against RT enzyme as well as HIV-1 in low micromolar to nanomolar concentration with good to excellent safety index. Structure activity relationship studies revealed that halogens such as bromo or chloro at 5th the position of oxindole ring remarkably enhanced the potency against RT. Moreover, methoxy or chloro groups at the ortho position of phenyl ring also significantly favored RT inhibition activity. Seven compounds (3b, 3c, 3d, 3e, 5b, 5c and 5e) with better anti-HIV-1 potency were tested against the mutant HIV-1K103N strain. The putative binding mode, as well as interaction patterns of the best active compound 5c with wild HIV-1 RT were studied via docking studies. |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://159.226.149.26:8080/handle/152453/12223] |
专题 | 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 |
通讯作者 | Yong-Tang Zheng |
作者单位 | 1.Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology & Science, Pilani Campus, Pilani 333031, Rajasthan, India 2.Key Laboratory of Bioactive Peptides of Yunnan Province/Key Laboratory of Animal Models and Human Disease Mechanisms of Chinese Academy of Sciences, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming, Yunnan 650223, China 3.School of Pharmacy, Maharaja Agrasen University, Atal Shiksha Kunj, Village Kalujhanda, Solan, Himachal Pradesh 174103, India 4.School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan 650500, China 5.Aix-Marseille Univ, CNRS, Centrale Marseille, iSm2, Marseille, France |
推荐引用方式 GB/T 7714 | Subhash Chander,Murugesan Sankaranarayanan,Ashok Penta,et al. Hit optimization studies of 3-hydroxy-indolin-2-one analogs as potential anti-HIV-1 agents[J]. Bioorganic chemistry,2018(79):212-222. |
APA | Subhash Chander.,Murugesan Sankaranarayanan.,Ashok Penta.,Ping Wang.,Deepak P. Bhagwat.,...&Yong-Tang Zheng.(2018).Hit optimization studies of 3-hydroxy-indolin-2-one analogs as potential anti-HIV-1 agents.Bioorganic chemistry(79),212-222. |
MLA | Subhash Chander,et al."Hit optimization studies of 3-hydroxy-indolin-2-one analogs as potential anti-HIV-1 agents".Bioorganic chemistry .79(2018):212-222. |
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