Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1086, Issue -, Pages 8-16Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2014.12.090
Keywords
Antiviral; Reverse transcriptase; Cyclohexenones; Robinson annulations; Hydrophobic character
Categories
Funding
- Deanship of Scientific Research at King Saud University [RGP-VPP-345]
Ask authors/readers for more resources
The chalcones core in compounds is advantageously chosen effective synthons, which offer exciting perspectives in biological and pharmacological research. The present study reports the successful development of eight new cyclohexenone based anti-reverse transcriptase analogous using rational drug design synthesis principles. These new cyclohexenone derivatives (CDs) were synthesized by following a convenient route of Robinson annulation, and the molecular structure of these CDs were later confirmed by various analytical techniques such as H-1 NMR, C-13 NMR, FT-IR, UV-Vis spectroscopy and mass spectrometry. All the synthesized compounds were screened theoretically and experimentally against reverse transcriptase (RT) and found potentially active reverse transcriptase (RT) inhibitors. Of the compounds studied, the compound 2FC4 showed high interaction with RT at non-nucleoside binding site, contributing high free binding energy (Delta G -8.01 Kcal) and IC50 (0.207 mu g/ml), respectively. Further results revealed that the compounds bearing more halogen groups, with additional hydrophobic character, offered superior anti-reverse transcriptase activity as compared to rest of compounds. It is anticipate that the present study would be very useful for the selection of potential reverse transcriptase inhibitors featuring inclusive pharmacological profiles. (C) 2015 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available