Computational Studies of α-Chymotrypsin and β-Glucuronidase Inhibitors

ISBN-13: 9786200095589 / Angielski / Miękka / 2019 / 236 str.

Maria Yousuf; Zaheer Qasmi; M. Iqbal Choudhary

Opis

I have been extensively using in-silico based drug designing and discovery tools, for the following type of studies, Designing of Enzyme Inhibitors, against targeted receptors -Chymotrypsin,beta-Glucuronidase and -Glucosidase, by using, ligand-based and structure-based Pharmacophore modeling; in-silico based Virtual Screening (Computational HTS) methods. I have identified and in-vitro evaluated novel inhibitors against, beta-Glucuroniadse (US Patent). Protein Modeling and New Biological Targets Prediction methods are also used for 3D structure prediction of proteins and molecular docking studies to observe the binding pattern of ligand-receptor and protein-protein interactions (PPI). Physicochemical and Pharmacokinetics studies: are also conducting for the evaluation of physicochemical properties of drug candidates and their in-vivo predictive profiling of membrane permeability, pharmacokinetics and cytotoxicity studies, we are also exploring various connecting biological pathways of drugs, ligand-protein and protein-protein interactive connected channels to deeply understand the mechanism of drug interactive pathways, in various complex biological process.

O autorze

Yousuf, Dr.Maria
I, Dr. Maria Yousuf completed my Ph.D. in the field of Computational Medicinal Chemistry. I have been doing extensive research in the field of computer-aided drug designing and discovery, my research work is mainly based on the designing of enzyme Inhibitors, against targeted receptors such as -Chymotrypsin,beta-Glucuronidase and -Glucosidase.