Please use this identifier to cite or link to this item: https://ir.swu.ac.th/jspui/handle/123456789/13025
ชื่อเรื่อง: Molecular docking study of phthalimide derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitor
ผู้แต่ง: Maicheen C.
Samee W.
Ungwitayatorn J.
วันที่เผยแพร่: 2017
บทคัดย่อ: HIV-1 reverse transcriptase (HIV-1 RT) still remains an important target in the investigation of anti-HIV drugs. A series of synthesized phthalimide derivatives have been previously evaluated for their HIV-1 RT inhibitory activity. In this study, phthalimide derivatives were subjected to docking study against 6 X-ray crystal structures of wild-type HIV-1 RT using AutoDock software. Docking results revealed that these phthalimide compounds bound in a similar position and orientation as the clinically used non-nucleoside RT inhibitor (NNRTI), nevirapine. The bound conformations of the 3 most potent compounds, 11, 25, and 29 with HIV-1 RT were in a roof-like shape, the 3-dimensional pharmacophore for NNRTI proposed by Schäfer et al. Moreover, the potent phthalimides showed the comparable binding affinity to nevirapine toward the enzyme. © 2017, Chiang Mai University. All rights reserved.
URI: https://ir.swu.ac.th/jspui/handle/123456789/13025
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030712046&partnerID=40&md5=32aff2a4f95214aa006a4d1b2f6ea76d
ISSN: 1252526
Appears in Collections:Scopus 1983-2021

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