How does computer-aided drug design work?
CADD basically relies on the computer modeling and predicting applications, such as computational system pharmacology (CSP) is one of the important methods of CADD that helps to understand and predict the behavior of selected compound or drug with respect to biological systems, and highly significant later for the drug .
What are the key steps in computer-aided drug design?
CADD approach can be utilized in 4 phases: (1) screen small molecule library against the target using virtual screening (VS) protocol to identify hits/leads, (2) investigate specificity of the selected hits from VS using molecular docking in the active site of other known targets, (3) predicting ADMET properties of the .
What are the steps in SBDD?
SBDD is an iterative process and it proceeds through multiple cycles leading an optimized drug candidate to clinical trials.
Generally, a drug discovery process consists of four steps: the discovery phase, development phase, clinical trial phase, and registry phase..
What is the aim of computer-aided drug design?
Computer-Aided Drug Design (CADD) emerged as an efficient means of identifying potential lead compounds and for aiding the developments of possible drugs for a wide range of diseases [8, 9].
Today, a number of computational approaches are being used to identify potential lead molecules from huge compound libraries..
- Computer-aided drug design (CADD) infers the rational interference of computational approach-based information for the discovery and development of potential drug candidates for specific activities to provide specific therapeutic solutions.
- Limitations of computer-aided drug design methods (CADD) We know that the biological system is very complex and so many parameters are involved in the biological system.
Therefore, it is not possible to simulate a complete biological system using computational artificial intelligence.
