Publication:
Molecular docking study of phthalimide derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitor

0
0

Issued Date

2017

Resource Type

Article

File Type

application/pdf

ISSN

1252526

Other identifier(s)

2-s2.0-85030712046

Rights Holder(s)

Scopus

Bibliographic Citation

Chiang Mai Journal of Science. Vol 44, No.4 (2017), p.1395-1406

Suggested Citation

Maicheen C., Samee W., Ungwitayatorn J. Molecular docking study of phthalimide derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitor. Chiang Mai Journal of Science. Vol 44, No.4 (2017), p.1395-1406. Retrieved from: https://hdl.handle.net/20.500.14740/4070

Title

Molecular docking study of phthalimide derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitor

Author(s)

Maicheen C.
 Samee W.
 Ungwitayatorn J.

Abstract

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.

View online Resources

Research Projects

Organizational Units

Journal Issue

URI

https://hdl.handle.net/20.500.14740/4070

Collections

Scopus: Year 1983-2021

Endorsement

Review

Supplemented By

Referenced By