ANTIPROLIFERATIVE, ADME AND POTENTIAL IN SILICO G6PDH INHIBITORY ACTIVITY OF NOVEL 2-(1-BENZOFURAN-2-YL)-4-(5-PHENYL-4H-1, 2, 4-TRIAZOL-3-YL) QUINOLINE DERIVATIVES
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2016, Vol 8, Issue 11
Abstract
Objectives: Synthesis of new 2-(1-benzofuran-2-yl)-4-(5-phenyl-4H-1, 2, 4-triazol-3-yl) quinoline and its derivatives for antiproliferative potential against cancer cells.Methods: The general methods were employed for the synthesis and the structures were confirmed by IR, 1H-NMR, 13C-NMR and mass spectral analysis. The antiproliferative activity was performed by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay and molecular docking study were performed by Auto Dock Tools. In silico Absorption-Distribution-Metabolism-Excretion-Toxicity (ADMET) study for the drug, likeliness was carried out on ACD/lab-2.Results: The compound 3l showed 44, 44, 38 and 37 % inhibition against MCF-7, HepG2, Colo205 and HeLa cell lines, respectively; whereas, the compounds 3i and 3j exhibited 49 and 42 % inhibition against MCF-7 cell line. The molecular docking study revealed that the compound 3i has the lowest binding energy (-8.60 Kcal mol-1), suggesting to be potentially best inhibitor of Glucose-6-phosphate dehydrogenase (G6PDH). The in silico ADME analysis also revealed that compound 3i does not violate any of the Lipinski rules of five and has the best stimulative human colonic absorption up to 95 %.Conclusion: The study reveals that the compounds containing benzofuran coupled nitrogen heterocycles are essential for activity as they possess excellent drug-like characteristics.Â
Authors and Affiliations
Santoshkumar S. , Manjulatha K. , Satyanarayan N. D. , Anantacharya R. , Harishkumar S. , Harishkumar H. N. , Yallappa S. , Dhananjaya B. L.
ENDOPHYTIC FUNGI FROM PHYLLANTHUS AMARUS SCHUM. & THONN. CAPABLE OF PRODUCING PHYLLANTHIN, HYPOPHYLLANTHIN AND/OR RELATED COMPOUNDS
Objective: To isolate endophytic fungi from various parts of Phyllanthus amarus (family Phyllanthaceae) and to probe for production of the bioactive compounds Phyllanthin and Hypophyllanthin.Methods: The fungi were isola...
STABILITY INDICATING METHOD DEVELOPMENT AND VALIDATION FOR THE ESTIMATION OF PANOBINOSTAT LACTATEIN PHARMACEUTICAL DOSAGE FORMS BY UPLC
Objective: The present study aimed to develop a stability indicating ultra-performance liquid chromatography (UPLC) method for the estimation of panobinostat lactate in pharmaceutical dosage form and validate the method...
HYPERHOMOCYSTEINEMIA LEAD TO TRANSMURAL INFLAMMATION OF COLON AND INCREASE SEVERITY OF DISEASE IN ACETIC ACID-INDUCED COLITIS IN RAT
Objective: The present study was designed to evaluate the effect of hyperhomocysteinemia (Hhcy) induced by feeding rats high methionine diet on the colon wall. Colonic damages caused by Hhcy were compared with those indu...
SCREENING FOR PHYTOCHEMICALS AND FTIR ANALYSIS OF MYRISTICA DACTYLOIDS FRUIT EXTRACTS
Objective: The present investigation focus on screening of phytochemicals and FT-IR analysis of Myristica dactyloids fruit extracts. The fruit extracts were prepared using five different solvents.Methods: The phytochemic...
EFFECT OF TERMINALIA CHEBULA (HARAD) FRUIT EXTRACT ON CARDIOTOXICITY IN STREPTOZOTOCIN INDUCED DIABETIC RATS
Objective: The aim of the study was to explore the protective activity of Terminalia chebula fruit extract on cardiotoxicity in streptozotocin (STZ) induced diabetic rats.Methods: The animals were divided into eight grou...