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Abstract

DRUG LIKENESS, BIOAVAILABILITY, VIRTUAL SCREENING AND DOCKING STUDIES OF SOME SULFONAMIDE DERIVATIVES

Shruti Y.*, Prabhudev S. M., Dr. Channamma M., Hanamanth J. K. and Kishore Singh C.

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Abstract

Sulfonamides selected for the computation of drug likeness and bioavilability using Molispiration software. All the compounds obey Lipinski‟s rule and its extension and showed drug likeness. Resulting in, the tested compounds showed good permeability across cell membrane and can easily bind to receptor. Similarly, all compounds were taken for calculation of bioactivity score towards G protein– coupled receptors (GPCR) ligands, ion channel modulator, kinase inhibitors, nuclear receptor inhibitors and other enzyme targets based on Molinspiration software. The compounds could be found to exhibit moderately bioactivities. They were further docked into the active domain of protein: cyclooxygenase enzymes, phosphodiesterase, the peroxisome proliferator-activated receptor, carbonic anhydrase, dihydro-folate reductase, hydrolase, polymerase, microsomal P450 enzymes, protease, pyrovate kinase and N-Methyl-D-Aspartate receptor using the docking program Molegro Virtual Docker. The docking scores of all compounds were expressed in negative energy terms and exhibited a good docking score in comparison with standard sulfadiazine & furosemide.

Keywords: Drug Likeness, Bioavailability, Docking Studies, Sulfonamide.


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