Computer-assisted Development and Toxicity Prediction: Notion and Significance in Drug Discovery and Development

The workshop would be a series of scientific lectures followed by hands-on sessions on computational approaches including machine learning, QSPR, QSTR, molecular dynamics as well as various tool and databases and their applications related to toxicoinformatics and computer-assisted formulation development. The experts will be available to resolve queries of the participants.


Objective
The main objective of this workshop is to provide basic understanding and training on in silico formulation development and toxicity prediction along with their implications in drug discovery and development to the PG, doctoral fellows and scientists from industries and young faculty across the
country.

About the Centre
Bioinformatics Centre entitled “Centre for drug design, disposition and toxicoinformatics” at the Punjabi University, Patiala is granted by Department of Biotechnology (DBT), Govt. of India. This Centre is mainly focused to provide training and to develop ability in handling various computational tools and free-wares which can be explored for in-silico drug designing, disposition, and toxicoinformatics to PG students, doctoral fellows, scientists from industries, and young faculty across the country. Additionally, centre is involved in the designing of single targeted or multi targeted small molecules for different multi-factorial diseases like diabetic complications, cancer, tuberculosis, and Alzheimer’s with the help of advanced molecular modeling techniques including docking, homology modeling, point mutational modeling, molecular dynamics, pharmacophore mapping, 3D-QSAR, network analysis and QSPR. This centre also deals with the utilization of in-silico assisted techniques for formulation development and ADMET prediction. This centre will provide a platform to the young budding researchers and those who are already engaged in the field of in-silico drug design for interacting with the leading scientist and experts from this field. Thus, the centre may provide deep understanding of fundamental concept and also help in conceptualizing research problems in the advanced molecular modeling based in-silico drug designing.

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