Synthesis, Computational & Docking Studies Of Bis-(4- Hydroxycoumarin-3-Yl) Methanes As Potential Inhibitor For Carbonic Anhydrase, Glyceraldehyde-3-Phosphate Dehydrogenase | ||||
| Journal of Pharmaceutical and Applied Chemistry | ||||
| Volume 2, Issue 2, May 2016, Page 41-61 PDF (4.17 MB) | ||||
| Document Type: Original Article | ||||
| DOI: 10.18576/jpac/020208 | ||||
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| Authors | ||||
| Prashant Singh1; Kamlesh Kumari2; Ramesh Chandra3 | ||||
| 1A.R.S.D. College, University of Delhi, Delhi- 110021, India. | ||||
| 2DDU College, University of Delhi, Delhi, India | ||||
| 3Department of Chemistry, University of Delhi, Delhi, India | ||||
| Abstract | ||||
| A general, simple and straight forward approach was used for the aqueous phase synthesis of bis-(4- hydroxycoumarin-3-yl)methanes via phosphotungstic acid as catalyst and provides efficient and environmentally benign route. Knoevenagel-type condensation followed by Michael reaction was carried between 4-hydroxycoumarin and an aldehyde in water as a solvent in shorter duration with high yields. Coumarin is a biological active chemical compound found in many plants, notably in high concentration in the Tonka bean, woodruff, and bison grass. Coumarins have potential in therapeutic application as anticoagulant and sustaining agents, they have results as antibiotics and antitumor drug. We have determined various biological properties of the synthesized compounds on basis of pharmacophores, structures. We docked the above synthesized compounds and evaluated hydrogen bonding, steric interaction with both enzymes (carbonic anhydrase and glyceraldehydes-3-phosphate dehydrogenase). Also, structural activities relationship of the compounds in reference molecular modelling, Lipinski rule of five, drug likeness, toxicity profiles were determined. | ||||
| Keywords | ||||
| Bis-(4-hydroxycoumarin-3-yl)methanes; carbonic anhydrase; biological properties; docking | ||||
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