Molecular Docking Studies And Synthesis Of Novel Hybrid Molecules Containing Thiazolopyrimidine / Pyrido-Pyrimidothiazine

E.M. Eid¹ , M.M. Hassaneen²

Section:Research Paper, Product Type: Journal-Paper
Vol.7 , Issue.5 , pp.8-13, May-2021

Online published on May 31, 2021

Copyright © E.M. Eid, M.M. Hassaneen . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
Multicomponent reaction of key starting materials (8-amino-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one and 7-amino-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-5-one) with aryl aldehydes and 1H-indene-1,3(2H)-dione in presence of piperidine as a catalyst, solvent free under microwave condition for 3 min to derive various derivatives of 6-aryl-2,3,6,12-tetrahydroindeno[2`,1`:5,6]pyrido[2,3-d]thiazolo[3,2-a]pyrimidine-5,7-dione and 7-aryl-3,4,7,13-tetrahydro-2H-indeno[2``,1``:5`,6`]pyrido[2`,3`:4,5]pyrimido[2,1-b][1,3]thiazine-6,8-dione. Molecular docking simulation studies for all the products with PDB: 1GIJ human cyclin D kinase complexed with CDK4 inhibitor shown promising results with 9e, 10c

Key-Words / Index Term :
Pyrimido[2,1-b][ thiazine, Cyclin D kinase, Thiazolopyrimidin, CDK 4 inhibitor, Molecular docking, CDK4/Cyclin D2, Thiazol

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