A REVIEW ON COMPUTER AIDED DRUG DESIGN IN DRUG DISCOVERY
AbstractComputer-aided drug design programs use mathematical formulas to predict the property value and structure of stable, unknown, and molecular species. Quantum mechanics, hybrid QM/MM, molecular bonding, molecular modelling, molecular mechanics, and QSAR are some of the techniques used in molecular bonding studies. An average drug discovery cycle, from lead identification to clinical trials, is expected to take about a year. Computer-aided drug design technologies have the potential to reduce drug design and development costs by 50% when integrated into a company’s research and development methodologies. Drug development can be accelerated by using computational methods to interpret and direct trials. Computer-aided drug design (CADD) approaches come in two primary varieties: ligand-based drug design (LBDD) and structure-based drug design (SBDD). The three-dimensional structural data from macromolecular targets, like proteins or RNA, is examined by SBDD techniques to identify crucial sites and interactions that are crucial to their biological activities.
Article Information
2
1480-1493
1362 KB
312
English
IJPSR
Radhe Govind Sahu, Shiv Hardenia * and Dinesh Kumar Jain
IPS Academy College of Pharmacy, Knowledge Village, Rajendra Nagar, A.B. Road Indore, Madhya Pradesh, India.
shivsharma280485@gmail.com
12 December 2024
02 January 2025
13 January 2025
10.13040/IJPSR.0975-8232.16(6).1480-93
01 June 2025
Download