QSAR: Application, Limitation and Purposes for Drug Design
Author(s):
Shantanu Vishnu Chavan, Saurabh S.Nevarekar, Sanket Shinde, Mudassar Mulla, Tohid Nadaf, Sourabh Chougule, Anuja Patil, Nilesh Chougule
Keywords:
Bioisosterism, QSAR, QSPR, Drug design, PCA-inhibitor
Abstract
Quantitative Structure Activity Relationship (QSAR) revolutionized drug research by converting qualitative relationships into quantitative structures. (QSPR) is useful in study the methods for rational drug design, aiming to optimize existing leads, improve biological activities and physio-chemical properties, and enquire the biological activities of untested and sometimes unavailable compounds. QSAR studies are effective in study of drug activity or binding mode on specific receptors. It is a statistical model used to establish relationships between chemical substances and their biological activities, providing a reliable predictor for new chemical entities. It enhance method for building computational and mathematical methods. It approach ligand based designing. It focus on study of error less method for synthesising, compound activity. QSAR helps in study on hazardous compound before synthesis of investigated molecule. QSAR deals with 2D structure of molecules and biomolecule deals with 3D structure. Hansch’s studies involve the application of QSAR in medicinal chemistry, including its capability and role in understanding mechanism action of various drugs. Its process involve the analysing the combined effect of molecule and mixture present in compound. Its application gives information from intercept values, bioisosterism, information on receptor site, drug research, application of free- Wilson model, quantitative structure toxicity relationship. Cramer’s study utilizes methodology to develop antiallergic pyrene-amines. In future QSAR further developes in many sectors of drug design and its application will be enhanced.
Article Details
Unique Paper ID: 161649

Publication Volume & Issue: Volume 10, Issue 5

Page(s): 285 - 289
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