Author Description

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.