PMID- 32017307
OWN - NLM
STAT- MEDLINE
DCOM- 20210806
LR  - 20210806
IS  - 1099-1352 (Electronic)
IS  - 0952-3499 (Linking)
VI  - 33
IP  - 6
DP  - 2020 Jun
TI  - Interaction of coumarin triazole analogs to serum albumins: Spectroscopic 
      analysis and molecular docking studies.
PG  - e2834
LID - 10.1002/jmr.2834 [doi]
AB  - The interaction of triazole substituted 4-methyl-7-hydroxycoumarin derivatives 
      (CUM1-4) with serum albumin (bovine serum albumin [BSA] and human serum albumin 
      [HSA]) have been studied employing ultraviolet-visible (UV-Vis), fluorescence, 
      circular dichroism (CD) spectroscopy, and molecular docking methods at 
      physiological pH 7.4. The fluorescence quenching occurred with increasing 
      concentration of CUMs, and the binding constant of CUM derivatives with BSA and 
      HSA obtained from fluorescence quenching experiment was found to be ~ 10(4) 
       L mol(-1) . CD study showed conformational changes in the secondary structure of 
      serum albumin upon titration of CUMs. The observed experimental results were 
      further validated by theoretical studies involving density functional theory 
      (DFT) and molecular docking.
CI  - (c) 2020 John Wiley & Sons Ltd.
FAU - Sharma, Kumkum
AU  - Sharma K
AD  - Chemical Biology Laboratory, Department of Chemistry, University of Delhi, New 
      Delhi, India.
FAU - Yadav, Priyanka
AU  - Yadav P
AUID- ORCID: 0000-0003-2904-9441
AD  - Chemical Biology Laboratory, Department of Chemistry, University of Delhi, New 
      Delhi, India.
FAU - Sharma, Bhawana
AU  - Sharma B
AD  - Chemical Biology Laboratory, Department of Chemistry, University of Delhi, New 
      Delhi, India.
FAU - Pandey, Meenakshi
AU  - Pandey M
AD  - Chemical Biology Laboratory, Department of Chemistry, University of Delhi, New 
      Delhi, India.
FAU - Awasthi, Satish K
AU  - Awasthi SK
AUID- ORCID: 0000-0002-1105-1431
AD  - Chemical Biology Laboratory, Department of Chemistry, University of Delhi, New 
      Delhi, India.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20200203
PL  - England
TA  - J Mol Recognit
JT  - Journal of molecular recognition : JMR
JID - 9004580
RN  - 0 (Coumarins)
RN  - 0 (Serum Albumin)
RN  - A4VZ22K1WT (coumarin)
SB  - IM
MH  - Circular Dichroism
MH  - Coumarins/*chemistry
MH  - Fluorescence
MH  - Molecular Docking Simulation
MH  - Serum Albumin/*chemistry
MH  - Ultraviolet Rays
OTO - NOTNLM
OT  - circular dichroism
OT  - coumarin
OT  - fluorescence quenching
OT  - molecular docking
OT  - serum albumin
EDAT- 2020/02/06 06:00
MHDA- 2021/08/07 06:00
CRDT- 2020/02/05 06:00
PHST- 2019/09/23 00:00 [received]
PHST- 2019/12/10 00:00 [revised]
PHST- 2019/12/20 00:00 [accepted]
PHST- 2020/02/06 06:00 [pubmed]
PHST- 2021/08/07 06:00 [medline]
PHST- 2020/02/05 06:00 [entrez]
AID - 10.1002/jmr.2834 [doi]
PST - ppublish
SO  - J Mol Recognit. 2020 Jun;33(6):e2834. doi: 10.1002/jmr.2834. Epub 2020 Feb 3.