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.
Keywords
Related Articles
- EP ID EP575927
- DOI 10.22159/ijpps.2016v8i11.14791
- Views 71
- Downloads 0
EFFICACY OF EXTRACTS OF SOME PLANTS IN AVOIDING FUNGAL DISEASES OF STORED CEREALS
ABSTRACT Â Â Objective: Plant metabolites and plant-based pesticides appear to be one of the better alternatives to the synthetic pesticides. The aim of the current study is to evaluate the antifungal properties of the a...
DOES METHYLPHENIDATE ENHANCE COGNITION IN NORMAL RATS AND DOES IT AFFECT NEURONAL POPULATION?
Objective: Methylphenidate [MPH] is one of the drugs of choice for children with Attention Deficit Hyperactivity Disorder [ADHD] since many decades with good effect. Consumption of this drug by normal children and adoles...
ROLE OF VICIA FABA FRUIT EXTRACT AGAINST CYTOTOXICITY INDUCED BY ACETAMINOPHEN IN PRIMARY CULTURED RAT HEPATOCYTES
Objective: In the present study, Vicia faba fruit extract was screened for their hepatoprotective activity against cytotoxicity induced by acetaminophen in primary cultured rat hepatocytes.Methods: Vicia faba fruit, seed...
118A>G AND IVS2+691G>C POLYMORPHISMS OF OPRM1 GENE HAVE NO INFLUENCE ON COLD-PAIN SENSITIVITY AMONG HEALTHY OPIOID-NAIVE MALAY MALES
Objective: Common polymorphisms of the mu-type opioid receptor (OPRM1) including 118A>G and IVS2+691G>C may affect experimental pain responses in healthy subjects, and the effect could be ethnic-dependent. The aim...
HUMIC ACID AND INDOLE ACETIC ACID AFFECT YIELD AND ESSENTIAL OIL OF DILL GROWN UNDER TWO DIFFERENT LOCATIONS IN EGYPT
Objective: The objective of this work was to evaluate the effect of humic acid, indole acetic acid or combination on productivity, essential oil of dill plant cultivated in two different locations. Also, to study the dil...