Discovery of Structural prospects of novel bis di hydro pyrazole derivatives as Antitubercular agents: A Computational approach

Abstract

Tuberculosis is the world's most common cause of infectious disease death. Currently available drugs are not working properly on these strains. Therefore novel medications are required to treat T.B. several bisdihydropyrazole derivatives are docked against the T.B. protein. This study aims to provide potential bisdihydropyrazole derivatives are an effective inhibitors on T.B. protein by using computational study. Computational screening was performed for 14 synthetic bisdihydropyrazoles against novel target of T.B. and evaluate the toxicity studies by using Swiss adme. 14 synthetic bisdihydropyrazole derivatives as shown excellent docking score on PDB 1P44 compared to standard ligand. Out of 14 derivatives 13A shown -11.281 glide score and also shown excellent ADME/T propertiesCADD is the powerful tool for identifying and optimising lead molecules. Based on docking and ADMET studies bisdihydropyrazole may be have anti tubercular activity. It may be validated through In-vitro and In-vivo studies.