Modeling of Bio-Activity and Toxicity in Light of NA Bases Interaction: QSAR Modeling through NA Bases Interaction

Mondal Roy, Sutapa; Roy, Debesh R.

ISBN 10: 6138910273 / ISBN 13: 9786138910275

Published by Scholars' Press, 2019

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Bibliographic Details

• Title: Modeling of Bio-Activity and Toxicity in Light of NA Bases Interaction: QSAR Modeling through NA Bases Interaction
• Publisher: Scholars' Press
• Publication Date: 2019
• Language: English
• ISBN 10: 6138910273
• ISBN 13: 9786138910275
• Binding: Soft cover
• Condition: New

About this title

Synopsis

Biological activity and toxicity of molecules are the major aspects on understanding diverse bio-mechanisms in living systems. Estimation of degree of activity and toxicity of molecules in a target is very important for their control and applications. However, experimental determination of bio-activity or toxicity is a mammoth task due to cost, time and availability of resources. In this direction, a fruitful mathematical approach has been successfully developed as Quantitative Structure Activity Relationship (QSAR). A successful QSAR modeling can also predict the bio-activity and toxicity of unknown homologous compounds. The present book addresses details of QSAR methods and relevant statistical analysis, various structural descriptors along with a couple of case studies considering important role of nucleic acid bases during the interaction of bio-active/toxic molecules with biological targets. The bio-activity of a series of acyl-CoA: cholesterol O-acyltransferase (ACAT) inhibitors, viz. aminosulfonyl ureas and toxicity of a series of Polycyclic Aromatic Hydrocarbons (PAHs) are reported in light of their interaction with model bio-systems.