In-silico approaches to drug candidate design

ISBN-13: 9786209629099 / Angielski / Miękka / 2026 / 56 str.

Youness MOUKHLISS; Hamid Maghat; Mohammed Bouachrine

Opis

Drug discovery and development is an expensive and time-consuming practice, and computer-aided drug design approaches are gaining in popularity in the pharmaceutical industry to speed up the process. With the help of these approaches, scientists can focus on the most effective compounds to minimize the difficulties of synthetic and biological testing. The main objective of this thesis is to propose new isoxazole-based drug candidates using a number of in-silico approaches, including QSAR modeling, pharmacokinetic properties and toxicity evaluation, ligand-receptor complex stability assessment, ligand transport tunnel detection, biological efficacy evaluation, and synthetic pathway proposal. The various results obtained form a useful reference base for researchers interested in the fields of drug design, bioinformatics, drug transport kinetics and chemical synthesis.