Anti-HIV cytotoxicity enzyme inhibition and molecular docking studies of quinoline based chalcones as potential non-nucleoside reverse transcriptase inhibitors (NNRT)

作者：Hameed Asima; Abdullah Muhammad Imran^*; Ahmed Ejaz; Sharif Ahsan; Irfan Ahmad; Masood Sara

来源：Bioorganic Chemistry, 2016, 65: 175-182.

DOI：10.1016/j.bioorg.2016.02.008

• Quinoline
• Chalcone
• Theoretical
• Acetophenone
• RT reverse transcriptase

A series of fourteen (A(1) - A(14)) qunioline based chalcones were screened for reverse transcriptase inhibitors (RT) and found potentially active against RT. Bioassay, theoretical and dockings studies with RT (the enzyme required for reverse transcription of viral RNA) results showed that the type and positions of the substituents seemed to be critical for their inhibition against RT. The bromo and chloro substituted chalcone displayed high degree of inhibition against RT. The A(4) andA(6) showed high interaction with RT, contributing high free binding energy (Delta G -9.30 and -9.13 kcal) and RT inhibition value (IC50 0.10 mu g/ml and 0.11 mu g/ml).

• 出版日期2016-4