Cheminformatics

Event Description:
An internship programme was conducted by MCC MRF Innovation Park, Madras Christian
College from 10th to 30th of December, 2021. The programme intends to train the students in
the field of drug designing
Participants:
Five students from Department of Chemistry, Loyola College has participated and benefited.
Topics Covered:

S.NO.DateTopicHandledbyMode
1.10.12.21Searching scholarly articles Dr. Beutline Malgija Offline
2.11.12.21Introduction to databases Dr. Beutline Malgija Offline
3.13.12.21 Chemical file formats Dr. Beutline MalgijaOffline
4.14.12.21 Ligand databases, Protein DataBank Dr. Beutline Malgija Offline
5.15.12.21Structure visualization usingPyMol Dr. Beutline MalgijaOffline
6.16.12.21 Structure visualization using DSVisualizerDr. Beutline MalgijaOffline
7.17.12.21DFT Calculations – Part IDr. Vijay SolomonOffline
8.18.12.21
Drug Designing basics, Protein and ligand preparation
Dr. Beutline MalgijaOffline
9.20.12.21Molecular docking using Autodock 4.2Dr. Beutline Malgija Offline
10.21.12.21Molecular docking using Autodock
Vina
Dr. Beutline MalgijaOffline
11.22.12.21Result analysis of protein-ligand
interaction
Dr. Beutline MalgijaOffline
12.23.12.21DFT calculations – Part II , ADME
prediction
Dr. Vijay SolomonOffline
13.24.12.21
to
30.12.21
Minor projectDr. Vijay Solomon &
Dr. Beutline Malgija
Discussion
through
Online
14.04.01.22Project presentation by the internsDr. Vijay Solomon &
Dr. Beutline Malgija
Online

Outcome:
The above mentioned topics were handled and the students were given individual projects in
the field of drug designing and reports were submitted. The projects were reviewed by Dr.
Vijay Solomon and Dr. M. Beutline Malgija and the interns were suggested to present their
research outcome in Conferences. The students will be given certificates.