UNEARTHING OF NATURAL BIOACTIVES: AN OVERVIEW OF COMPUTATIONAL APPROACHES
AbstractThe computer-aided drug design (CADD) symbolizes an intricate discipline exploitation accomplishment in varied areas of science and varied strategies and approaches. It tends to speed-up and optimize discovery of latest biologically active compounds. However, these approaches cannot replace the experimental tests. The aim of CADD is to generate hypotheses regarding probable new ligands and their interaction with targets. It’s considered that these strategies will decrease the quantity of the compounds that are required to be synthesized and tested for biological activity up to 2 orders. Thus, they’re capable to decrease basically time consuming monetary expenses for development of medicine. A Recent terribly effective technique in era is drug designing through computers. CADD technologies are employed in technology, biological science, organic chemistry etc. The main advantage of the CADD is value effective in analysis and development of medicine. There are wide ranges of software that are employed in CADD, Grid computing, window primarily based general PBPK/PD modeling computer software, PKUDDS for structure based drug design, APIS, JAVA, Perl and Python. The various techniques that are enclosed in CADD are visualization, homology, molecular dynamic, energy minimization molecular docking, QSAR etc. CADD is applicable in cancer disease, transportation of drug to specific site in body, information collections and storages of organics and biologicals. This article conjointly deals with the development of structure-based drug design for human herpes virus (HHV) infection that implicates selecting the target proteins, visualizing the target structure, identifying the binding site, docking up the ligands and evaluating those using computational techniques.
Article Information
6
426-437
1495 KB
54
English
IJP
Simran Chaurasia
Department of Pharmaceutical Sciences and Technology, Maharaja Ranjit Singh Punjab Technical University, Badal Road, Bathinda, Punjab, India.
simranchaurasia777@gmail.com
06 August 2024
23 August 2024
28 August 2024
10.13040/IJPSR.0975-8232.IJP.11(8).426-37
31 August 2024