Molecules p. 4717 - 4732 (2012)
Update date:2022-08-05
Topics: Synthesis Molecular docking Derivatization Data Analysis Literature Review
Al-Mutairi, Maha S.
Al-Abdullah, Ebtehal S.
Haiba, Mogedda E.
Khedr, Mohammed A.
Zaghary, Wafaa A.
A facile, convenient and high yielding synthesis of novel S-glycosides and N-glycosides incorporating 1,2,3,4-tetrahydronaphthalene and or 1,2-dihydropyridines moieties has been described. The aglycons 2, 4, and 7 were coupled with different activated halosugars in the presence of basic and acidic medium. The preliminary in-vitro cytotoxic evaluation revealed that compounds 3c, 3f, 5c and 7b show promising activity. A molecular docking study was performed against tyrosine kinase (TK) (PDB code: 1t46) by Autodock Vina. The docking output was analyzed and some compounds have shown hydrogen bond (H-B) formation with reasonable distances ranged from 2.06 A to 3.06 A with Thr 670 and Cys 673 residues found in the specified pocket. No hydrogen bond was observed with either Glu 640 nor Asp 810 residues, as was expected from pdbsum.
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