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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
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