PMID- 26964017
OWN - NLM
STAT- MEDLINE
DCOM- 20161213
LR  - 20191210
IS  - 1090-2120 (Electronic)
IS  - 0045-2068 (Linking)
VI  - 65
DP  - 2016 Apr
TI  - Anti-HIV cytotoxicity enzyme inhibition and molecular docking studies of 
      quinoline based chalcones as potential non-nucleoside reverse transcriptase 
      inhibitors (NNRT).
PG  - 175-82
LID - S0045-2068(16)30016-5 [pii]
LID - 10.1016/j.bioorg.2016.02.008 [doi]
AB  - A series of fourteen (A1 - A14) 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 A4 andA6 showed high interaction with RT, contributing high free binding 
      energy (DeltaG -9.30 and -9.13kcal) and RT inhibition value (IC50 0.10mug/ml and 
      0.11mug/ml).
CI  - Copyright (c) 2016 Elsevier Inc. All rights reserved.
FAU - Hameed, Asima
AU  - Hameed A
AD  - Institute of Chemistry, University of the Punjab, Lahore, P.O 54590, Pakistan.
FAU - Abdullah, Muhammad Imran
AU  - Abdullah MI
AD  - Institute of Chemistry, University of the Punjab, Lahore, P.O 54590, Pakistan. 
      Electronic address: imranchemist.ali@gmail.com.
FAU - Ahmed, Ejaz
AU  - Ahmed E
AD  - Institute of Chemistry, University of the Punjab, Lahore, P.O 54590, Pakistan. 
      Electronic address: dr.ejaz.ahmed@gmail.com.
FAU - Sharif, Ahsan
AU  - Sharif A
AD  - Institute of Chemistry, University of the Punjab, Lahore, P.O 54590, Pakistan.
FAU - Irfan, Ahmad
AU  - Irfan A
AD  - Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, 
      P.O. Box 9004, Saudi Arabia; Research Center for Advanced Materials Science 
      (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia.
FAU - Masood, Sara
AU  - Masood S
AD  - Sheikh Zayed Madical College & Hospital Rahim Yar Khan, Pakistan.
LA  - eng
PT  - Journal Article
DEP - 20160302
PL  - United States
TA  - Bioorg Chem
JT  - Bioorganic chemistry
JID - 1303703
RN  - 0 (Anti-HIV Agents)
RN  - 0 (Chalcones)
RN  - 0 (Quinolines)
RN  - 0 (Reverse Transcriptase Inhibitors)
RN  - E66400VT9R (quinoline)
RN  - EC 2.7.7.49 (RNA-Directed DNA Polymerase)
SB  - IM
MH  - Animals
MH  - Anti-HIV Agents/chemical synthesis/chemistry/*pharmacology
MH  - Cell Line
MH  - Chalcones/chemical synthesis/chemistry/*pharmacology
MH  - Chlorocebus aethiops
MH  - HIV/*drug effects/enzymology
MH  - Humans
MH  - *Molecular Docking Simulation
MH  - Quinolines/chemistry/*pharmacology
MH  - RNA-Directed DNA Polymerase/*metabolism
MH  - Reverse Transcriptase Inhibitors/chemical synthesis/chemistry/*pharmacology
MH  - Vero Cells
OTO - NOTNLM
OT  - Acetophenone
OT  - Chalcone
OT  - Quinoline
OT  - RT reverse transcriptase
OT  - Theoretical
EDAT- 2016/03/11 06:00
MHDA- 2016/12/15 06:00
CRDT- 2016/03/11 06:00
PHST- 2015/11/29 00:00 [received]
PHST- 2016/02/24 00:00 [revised]
PHST- 2016/02/25 00:00 [accepted]
PHST- 2016/03/11 06:00 [entrez]
PHST- 2016/03/11 06:00 [pubmed]
PHST- 2016/12/15 06:00 [medline]
AID - S0045-2068(16)30016-5 [pii]
AID - 10.1016/j.bioorg.2016.02.008 [doi]
PST - ppublish
SO  - Bioorg Chem. 2016 Apr;65:175-82. doi: 10.1016/j.bioorg.2016.02.008. Epub 2016 Mar 
      2.