1384872-98-3Relevant academic research and scientific papers
Synthesis, molecular docking and preliminary in-Vitro cytotoxic evaluation of some substituted tetrahydronaphthalene (2',3',4',6'-tetra-O-acetyl-β-D- gluco-/galactopyranosyl) derivatives
Al-Mutairi, Maha S.,Al-Abdullah, Ebtehal S.,Haiba, Mogedda E.,Khedr, Mohammed A.,Zaghary, Wafaa A.
experimental part, p. 4717 - 4732 (2012/07/02)
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.
