QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND GROUP-BASED QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP: A REVIEWAbstract
Structure-Activity relationship (SAR) only identifies the chemical group responsible for producing the target biological effect in the organism. It was first present in 1865, structural activity relationship was refined dates back to the nineteenth century and now it has advanced from QSAR to 3D QSAR. Quantitative Structure-Activity Relationships (QSAR) are attempted to correlate the structural and biological properties of compounds or molecules. QSAR is used in drug design and medicinal chemistry. By using QSAR, scientists predefined toxicity related to organic molecules and determined the perfect potential biological activity that helps produce drug moiety. Group Based-Quantitative Structure-Activity Relationship (G-QSAR) is fragment dependent method which bases on molecule descriptors. Statistical parameters validate the GQSAR method. The cross-term fragment descriptor is used in GQSAR to study the relation of molecular fragments and variation in biological-based response. It provides a clue for designing new molecules and predicting their activity. In this article, we mainly concentrate on the various QSAR model such as Hansch Analysis, Free Wilson Analysis, various physicochemical properties, QSAR development process, QSAR model, and methodology of the GQSAR model, implementation and working as well as some general aspects in QSAR and GQSAR study.
Sanket B. Bhatshankar and Amit S. Tapkir *
Department of Pharmaceutical Chemistry, PES Modern College of Pharmacy, Nigdi, Pune, Maharashtra, India.
24 June 2022
17 August 2022
30 August 2022
01 March 2023