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Synthesis, Characterization, and Docking Evaluations of New Derivatives of Pyrimido[4,5‐ c ]pyridazine as Potential Human AKT1 Inhibitors
Author(s) -
Hazrathoseyni Ayla,
Seyedi Seyed Mohammad,
Eshghi Hossein,
Shiri Ali,
Saadatmandzadeh Mohammad,
Berenji Ali Reza
Publication year - 2016
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.2296
Subject(s) - pyridazine , chemistry , docking (animal) , combinatorial chemistry , akt1 , stereochemistry , biochemistry , phosphorylation , protein kinase b , medicine , nursing
A number of new derivatives of pyrimido[4,5‐ c ]pyridazine have been synthesized from the treatment of 6‐acetyl‐3‐amino‐2,5‐diphenyl‐2,5‐dihydropyridazine‐4‐carbonitrile ( 1 ) as precursor with various reactants obtained quantitatively the desired products ( 2 ), ( 5 ), ( 7 ), and ( 9a , 9b , 9c , 9d , 9e ). The structures of all the synthesized products have been elucidated thoroughly. The potential AKT1 inhibitory activities of these new synthesized compounds have also been studied by docking calculations, which have been performed in Gold 5.2 software using Genetic algorithm.