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Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Novel (4‐Hydroxy‐2‐Thioxo‐3,4‐Dihydro‐2 H ‐[1,3]Thiazin‐6‐Yl)‐Chromen‐2‐Ones via a Multicomponent Approach
Author(s) -
Sharma Archi,
Gudala Satish,
Ambati Srinivasa Rao,
Penta Santhosh,
Bomma Yashwanth,
Janapala Venkateswara Rao,
Jha Anubhuti,
Kumar Awanish
Publication year - 2018
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201700340
Subject(s) - chemistry , adme , hela , coumarin , thiazine , docking (animal) , in vitro , in silico , morpholine , stereochemistry , pyrimidine , benzothiazine , combinatorial chemistry , medicinal chemistry , biochemistry , organic chemistry , medicine , nursing , gene
A series of coumarin‐substituted 1,3‐thiazin‐2‐thione derivatives 4a–m were synthesized via the multicomponent reaction of 3‐chloro‐3‐(2‐oxo‐2 H ‐chromen‐3‐yl)acrylaldehyde ( 1 ) carbon disulfide ( 2 ), and various primary amines ( 3 ), in presence of triethylamine and acetonitrile under stirring with good yields. Compounds 4a , 4d , and 4m showed activity against A549, MDA‐MB‐231, MCF7, HeLa, and B16F10 cancer cell lines. In vitro anticancer result was supported by in silico docking and in silico ADME as well.