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Pseudo‐four‐component synthesis and in silico studies of 5‐( 5‐hydroxy‐3‐methyl‐1 H ‐pyrazol‐4‐yl)‐substituted 5 H ‐chromeno[2,3‐ b ]pyridines
Author(s) -
Ryzhkov Fedor V.,
Elinson Michail N.,
Ryzhkova Yuliya E.,
Vereshchagin Anatoly N.,
Korolev Victor A.,
Egorov Mikhail P.
Publication year - 2021
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.4215
Subject(s) - chemistry , in silico , stereochemistry , reductase , combinatorial chemistry , molecular dynamics , docking (animal) , enzyme , computational chemistry , organic chemistry , biochemistry , gene , medicine , nursing
Multicomponent reactions (MCRs) are important processes, in which more than three different reactants directly get converted into one new structure bearing most of the atoms of these reactants. It is a very powerful tool in drug discovery and combinational chemistry. A new pseudo‐four‐component synthetic approach to 5‐(5‐hydroxy‐3‐methyl‐1 H ‐pyrazol‐4‐yl)‐substituted 5 H ‐chromeno[2,3‐ b ]pyridines with 68%–95% yields is reported. This MCR opens an efficient and convenient way to substituted 5 H ‐chromeno[2,3‐ b ]pyridines, which are promising compounds in medicinal chemistry and for the treatment of lung cancer through inhibition of aldo‐keto reductase 1B10. A new consensus approach of molecular docking and molecular dynamics was applied for the investigation of interaction of synthesized 5 H ‐chromeno[2,3‐ b ]pyridines and aldo‐keto reductase 1B10.