Synthesis of a new series of pyrimidine derivatives: exploration of anti-proliferative activity on EAT cells and molecular docking
作者： N. Senthilkumar , Y. Dominic Ravichandran , K. M. Kumar , Sudha Ramaiah
DOI: 10.1007/S11164-015-2086-2
关键词: Cell 、 Stereochemistry 、 Casein 、 Cytotoxic T cell 、 IC50 、 In vitro 、 Cytotoxicity 、 Pyrimidine 、 Ligand efficiency 、 Chemistry
摘要: A new series of pyrimidine derivatives was designed and synthesized from 2-thiouracil via multicomponent, Biginelli-type reactions structurally characterized by all spectral means. Synthesized compounds were evaluated for antiproliferative activity against Ehrlich ascites tumour (EAT) cells. molecular docking study carried out to establish the binding mode these into human casein kinase-2 inhibitor (CK2). The established modes CK2 in very good agreement with vitro activity. Compound 4-(2-(1H-indol-2-yl)ethylamino)-2-(2-(diethylamino)ethylthio)-6-(4-fluorophenyl)pyrimidine-5-carbonitrile 4h exhibited stronger cytotoxic EAT cells an IC50 value 5.2 µM which nearest compared standard drug methotrexate (MTX) that showed 3.6 µM. has maximum cytotoxicity cell, lowest energy (−8.7 kcal/mol) ligand efficiency other compounds.
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