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One‐pot, Multicomponent Cascade Reaction for the Synthesis of Various Aralkyl/alkylthio‐3,5‐dimethyl‐1 H ‐pyrazolyl‐4 H ‐1,2,4‐triazol‐4‐amine and Their Docking Studies
Author(s) -
Jilloju Parameshwara Chary,
Vinaykumar Allam,
Shyam Perugu,
Vedula Rajeswar Rao
Publication year - 2019
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.3484
Subject(s) - chemistry , amine gas treating , alkyl , combinatorial chemistry , aryl , halide , reaction conditions , 1,2,4 triazole , medicinal chemistry , organic chemistry , catalysis
A facile and simple one‐pot procedure for the synthesis of various aralkyl/alkylthio‐3,5‐dimethyl‐1 H ‐pyrazolyl‐4 H ‐1,2,4‐triazol‐4‐amines has been described via a multicomponent reaction of 4‐amino‐5‐hydrazinyl‐4 H ‐1,2,4‐triazole‐3‐thiol, acetylacetone, and various aryl/alkyl halides in good yields. All the newly synthesized compounds were characterized by using analytical and spectral studies. Our in silico studies confirmed that 4e , 4f , 4g , and 4j have the best inhibition activity among the synthesized compounds with a high selective index against the Tubulin protein and showed best interactions with receptor structure. The present study provides a novel series of compounds with a promising inhibitor to prevent on Tubulin protein.