Center for Professional Development presents

st rd21 - 23 December 2019

NATIONAL WORKSHOP ONMOLECULAR DOCKING

RK University (RKU) is the first state private university in Saurashtra & Kutch region. It was established by the state of Gujarat, under the Private State University Act, 2009 by a gazette notification dated 12 October 2011 and recognized by University Grant commission (UGC) under section 22 of UGC Act,1956. University offers degrees in Science, Ayurveda, Engineering, Pharmacy, Physiotherapy, Management Studies. The University is equipped with State of Art Laboratories, Classrooms, Libraries, Seminar Halls, Sports Building and well-designed Botanical Garden. Highly qualified and well experienced faculties are associated with the University. RKU is the only state private university accredited by NAAC-UGC in western Gujarat region. RKU is ranked across the nation in Swatch campus ranking by MHRD, Govt. of India.

ABOUT SCHOOL OF SCIENCE School of Science (SOS) was established in 2011 under the ages of RK University with the intent of providing holistic education to graduate & post graduate students, whose career objectives go beyond academics. The school offers B.Sc. in Microbiology, Chemistry, Physics & Mathematics and M.Sc. in Microbiology, Organic chemistry, Analytical chemistry and Physics. The school offers Ph.D. programs in various areas of Life science, Chemistry and Physics.

ABOUT THE WORKSHOPMolecular modelling is a collection of (computer-based) techniques for deriving, representing and manipulating the structures and reactions of molecules, and those properties that are dependent on these three-dimensional structures. This workshop aims to introduce in a simple way the hierarchy of computational modelling methods used nowadays as a standard tools by chemist Bioinformaticians and Biotechnologists for rationalizing and predicting structure and reactivity of bio molecules. Hence, this training course for the workshop has been designed to provide the theoretical background as well as a hands-on approach to Molecular Docking and Virtual screening. The workshop will also cover the use of different software and will focus on Cheminformatics methods for lead identification and optimization.

ABOUT RK UNIVERSITY

ELIGIBILITYMphil students PhD Scholar Professionals Faculty of chemistry, Pharmacy and life science Any

aspiring Candidate interested in Image result for computational research

PROGRAM SCHEDULE

Day 1

TIME LINE ACTIVITY VENUE

10:00- 10:30 AM Registration and tea SOS gallery and courtyard

10:30-11:30 AM Inaugural session SOS seminar hall

11:30 - 12:45 AM Keynote SpeakerDr. Snehal Bagtharia

Molecular modelling and Docking - Databases,Techniques and Tools

SOS seminar hall

12:45 - 1:30 PM Lunch

1:30 - 3:00 PM

Hands on sessionProtein Databases (Primary, 3D,Modelled) by Dr. Chirag Patel

3:00 - 3:15 PM High Tea break

3:15 - 5:00

Hands on sessionVisualization- Protein Structure,

Protein-Protein Interaction, Protein-Ligand Interaction by

Dr. Prashanth Kumar

Computer Lab

Computer Lab

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Day 2

PROGRAM SCHEDULE

Day 1

TIME LINE ACTIVITY VENUE

10:00- 10:30 AM Breakfast SOS gallery and courtyard

10:30-11:30 PM Speaker 2Dr. John J. Georrge,

Lecture 1: Novel Drug Target Identification-SubtractiveGenomics Approaches, Molecular Modelling

Lecture 2: Chemical & Drug Databases, Drawing & Visualization Tools, ADMET

Hands on sessionProtein 3D Structure Prediction:

Homology BasedApproach (Swiss Model, Modeller)Ab initio (I-TASSER, Phyre) by Dr. Chirag Patel

11:30 - 12:45 PM

12:45 - 1:15 PM

1:15 - 3:00 PM

3:00 - 3:15 PM

3:15- 5:00 PM

High Tea break

Lunch

Computer LabComputer LabHands on sessionProtein 3D Structure Assessment: Swiss Model

Workspace, SAVESProtein Refinement: ModRefiner by Dr. Chirag Patel

Computer LabHands on sessionProtein Active site Prediction: metaPocket

Ligand: Databases, Drawing & Visualization ToolsIn Silico ADME and Toxicity Prediction

by Dr. Prashanth Kumar

SOS seminar hall

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PROGRAM SCHEDULE

Day 2

PROGRAM SCHEDULE

Day 3

TIME LINE ACTIVITY VENUE

10:00- 10:30 AM Breakfast SOS gallery and courtyard

10:30- 12:30 PM Speaker 3Dr. Dhaval Patel

Lecture-1: Docking-Types and ToolsLecture-2: Ligand Based Drug Discovery- Pharmacophore, QSAR & Target Fishing

12:45 - 1:15 PM

1:15 - 3:00 PM

3:00 - 3:15 PM

5:00 - 5:30 PM

3:15- 5:00 PM

High Tea break

Valedictory function& Group Photo

Lunch

Computer LabHands on session by Dr. Prashanth Kumar

Docking: Protein-Small Molecule (AutoDock Vina,Batch Docking by PyRx)Protein-Protein (ClusPro)

Visualization of the Result: Pymol, LigPlot

Computer LabHands on sessionLigand Based Drug Discovery-

Pharmacophore, QSAR& Target Fishing

by Dr. Prashanth Kumar

SOS seminar hall

SOS seminar hall

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PROGRAM SCHEDULE

Day 3

WORKSHOP TOPICS INCLUDE: (DAY 1 TO 3)

COMMITTEE MEMBERS

CHIEF GUESTDr. Snehal Bagtharia, Joint Director, GBRC and GSBTM, Gujarat

RESOURCE PERSONS

Department of Microbiology, School of Science, RK University

Methods and advances in computer aided drug design

Small and macro molecule data bases

Visualization tools

Approaches in target selection and refinement for docking studies

Modeling the unknown proteins for docking and virtual screening

Identification and evaluation of Binding Pocket / Active site

Docking approaches in virtual screening and Lead identification

Pharmacophore modeling and virtual screening of novel compounds

Refinement of novel leads using ADME prediction

Similarity and dissimilarity-based methods in lead identification 3D-QSAR Modeling and lead optimization

Registraion Link rku.ac.in/events/mddd2019

Convener Dr. Sejal ShahAssistant Professor, SOS, RK University

Co-ordinatorDr. Anjisha Maharshi Assistant Professor, SOS , RK University

Workshop Co-ChairDr. Vijay KumarHead, SOS, RK University

Workshop ChairDr. Mayank PandyaDean & Director, SOS, RK University

Dr. John J. Georrge Head and Assistant professor, Department of Bioinformatics, Christ college, Rajkot

Dr. Dhaval patel Assistant professor, Department of Bioinformatics & structural biology, Institute of advanced research,(IAR) Gandhinagar

Dr. Prashant kumarFaculty, School of Science,Gujarat University, Ahmedabad

Dr. Chiragkumar N. PatelFaculty, Department of Botany, Bioinformatics and climate change Impacts management, School of Science, Gujarat University, Ahmedabad