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Infectious diseases raise awareness of our global vulnerability and the ability of mankind to prepare medicinally important molecules during the past century has lead to decrease in the mortality rate from numerous infectious diseases. Benzotriazole and its derivatives have showed activities like antibacterial, antifungal, antiviral and anthelmentic action. These investigations propose the option of emerging a lead compound of benzotriazole having a potential antifungal activity. Molecular docking simulation based virtual screening with ligand library having benzotriazole derivatives have been…mehr

Produktbeschreibung
Infectious diseases raise awareness of our global vulnerability and the ability of mankind to prepare medicinally important molecules during the past century has lead to decrease in the mortality rate from numerous infectious diseases. Benzotriazole and its derivatives have showed activities like antibacterial, antifungal, antiviral and anthelmentic action. These investigations propose the option of emerging a lead compound of benzotriazole having a potential antifungal activity. Molecular docking simulation based virtual screening with ligand library having benzotriazole derivatives have been performed to identify possible lead molecules to inhibit 1ea1.pdb enzyme for treatment of fungal infection. Further the docked conformation of ligand should be perfectly overlayed with the crystal structure of the downloaded protein. This testing is completed successful and the docked confirmation of the fluconazole is perfectly superimposed with reference structure of fluconazole used by the Autodock docking algorithm. The QSAR studies and docking studies give the lead for synthesis of Benzotriazole molecule. The synthesized molecule were characterized and evaluated for antifungal activity.
Autorenporträt
Dr. Mohammad Rizwan Khan is a Principal, J.D.C.P., Indore having 15 yrs experience.Vice President of Pharmaceutical Society S.P.E.R. state council. Published many national, international paper and attended many conferences.Guided many project of UG & PG students. Received award by Ministry of HRD for securing 42nd rank in 12th Standard in MP State