Hall 123

Computations for observation of impact/ response of small molecule in ‘in-vitro, in-vivo and theoretical bio-systems for therapeutic purposes

Om Prakash

University of Lucknow

To identify drug-like molecule for a therapeutic purpose, small molecule is observed through multiple experiments with live bio-systems, at laboratory (in-vitro) as well as field (in-vivo) scale. These experiments with live bio-systems are bounded with constraints of heavy expenses, long-time requirement and limitations of performing all possible designed experiments. Records of laboratory experiments are available in various literatures, which can be used for empirical modelling. Computational models are being developed to support accurate hits of experimental validation in faster way. This presentation belongs to core informative computations to observe the ‘impact/ response’ of small molecule in ‘in-vitro, in-vivo and theoretical bio-systems’ for therapeutic purposes.