Molecular Docking an Imperative Methodology for Drug Discovery- A Systemic & Comprehensive Review Study
Journal Title: International Journal of Medical Science and Innovative Research (IJMSIR) - Year 2016, Vol 1, Issue 2
Abstract
Molecular docking and Quantitative structure activity relationship (QSAR), is now established as an important approaches in drug discovery and most important areas in chemistry, gives information that is useful for drug design. Two major bottleneck of molecular docking are availability of an efficient docking algorithm & availability of a selective and efficient scoring function. Comparison suggests that the best algorithm for docking is probably a hybrid of various types of algorithm encompassing novel search and scoring strategies. These are mathematical equations relating chemical structure to a wide variety of physical, chemical and biological properties. The derived relationship between molecular descriptors and activity are used to estimate the property of other molecules and/or to find the parameters affecting the biological activity.
Authors and Affiliations
Davinder Kumar
Keywords
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