The progression of drug discovery and development is time consuming costly. Advancing Computer-aided (ACADD) an effective tool in reducing the cost research development. This study deals with evaluation nuclear receptors for in-silico biological activity using ligand betulinic acid dexamethasone. Docking results showed that binding energy was -74.190 kcal/mol when compared standard (-51.551 kca...

Molecular docking is a modeling tool of Bioinformatics which includes two or more molecules interact to provide stable product in the form complex. helpful predicting 3-d structure complex depends on binding characteristics Ligand and target. Also, it structure-based virtual screening (SBVS) utilized keep structures small molecule are generated by computers into target various types conformatio...

92 Published By: Blue Eyes Intelligence Engineering & Sciences Publication Pvt. Ltd.  Abstract— Genetic algorithms, can be used to solve NP-hard problems in various domains, including computer-aided drug design (CADD). As design & development of a drug molecule takes a number of man years and is also an expensive process, use of computer-aided techniques could help to reduce the time required ...

Molecular docking is a frequently used tool in computer-aided structure-based rational drug design. Flavonoids are a group of natural products which exhibits various biological and pharmacological activities. The primary objective of this study was to investigate the aldose reductase inhibitory activity of flavonoids using in silico docking studies. In this perspective, flavonoids like aromaded...

Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, ...

Conventional drug design embraces the "one gene, one drug, one disease" philosophy. Nowadays, new generation of anti- cancer drugs, able to inhibit more than one pathway, is believed to play a major role in contemporary anticancer drug research. In this way, polypharmacology, focusing on multi-target drugs, has emerged as a new paradigm in drug discovery. A number of recent successful drugs hav...