Knowledge of 3-dimensional structure of proteins is a prerequisite for drug design and for structure based studies to develop potential therapeutic agents. Currently, X-ray crystallography, NMR spectroscopy and Cryo-electron microscopy are powerful structural biology tools for determination of 3-dimensional structure of proteins. Essentially, X-crystallography is very important method and central to the structural biology, which enables to model protein structures at the atomic level. Despite these, structure biology remains a challenging field to elucidate the structure of many key proteins. The development of relatively inexpensive and high speed cluster of computers and varieties of software for comparative modeling, docking and molecular dynamic enhance the structure based lead discovery by overcoming the challenges faced from experimental methods. The Workshop on “Protein structure and drug discovery” will focus on delivering the basic understanding of X-crystallography method and drug design among the students and post-doctoral fellows. The hands on training will provide an opportunity to integrate the delivered knowledge into the real scenario.
The primary objectives of the course are as follows:
♠ Exposing the participant to the fundamental of protein crystallography and other structural biology methods
♠ Train the participants with experiential aspect of crystallography
♠ Exposing the participants with the recent development of structure biology
♠ Train the participants with the basics of computational approach of drug design
♠ Provide knowledge about the recent advancement of software for structure based drug design
♠ Expose the participants with practical aspects and case studies
♠ Establishing personal connection and providing opportunity of international collaboration
Basics of structural Biology.
Advancement in X-ray crystallography.
Emerging techniques such as SAXS etc.
Crystallization: Theory and techniques.
X-ray diffraction, data collection and processing.
Model building and refinement of structures.
Phasing methods for structure determination.
Validation and deposition.
Structure determination by homology modeling and ab-inito methods.
Docking and Scoring Functions.
QSAR – Introduction and case studies.
Virtual Screening– Introduction and case studies.
Molecular Simulation– Introduction and case studies.
FEP Methods- Introduction & Case studies.
Interested candidates must fill the registration form and send along with detailed CV to: firstname.lastname@example.org on or before August 16, 2017.
Registration fee will include all instructional materials, lunches, computer use for tutorials, local transport and 24hrs internet facility.
Participants from abroad : US $100
PG Students : Rs. 2,000/-
Ph.D scholars/Postdocs : Rs. 3,000/-
Faculty/Scientists : Rs. 5,000/-
Industry : Rs. 10,000/-
Prof. Sir Tom Blundell, FRS, FMedSci, is Director of research and Professor Emeritus in Biochemistry at University of Cambridge. He is famous British biochemist, Structural Biologist and science administrator. He leads an active research team focusing on molecular and structural biology on multi-protein assemblies involving various growth factors, receptors, signal transduction and DNA repair important in cancer, tuberculosis and familial disease. He has developed many new approaches and software for modeling of proteins and structure guided fragment based drug discovery. His drug discovery program used the structural insights to develop new methods of early lead discovery and optimization, that resulted in the foundation of a oncology company, Astex Theraputics, which has developed almost ten drugs into clinical trial. He was president of UK Science council and played significant role in restructuring British research council.
Dr. M. Rami Reddy received his Ph.D. in Computational Chemistry from the University of Hyderabad and held postdoctoral fellowships at University of Texas at Austin and UNC at Chapel Hill. Then, he worked as a Scientist/Senior Research Scientist at Agouron Pharmaceuticals (now Pfizer), San Diego. Dr. Reddy’s Computer-Aided Drug Design (CADD) efforts using Bioinformatics, Cheminformatics and Computational Chemistry methods at Pfizer led to several clinical candidates for cancer and one FDA approved drug for AIDS (Viracept). He also served at Gensia Pharmaceuticals, Inc. (now Metabasis Therapeutics, Inc.) in various capacities and finally as an Executive Director for novel drug discovery, working in the research areas of cardiovascular, pain, cancer, hyperlipidemia, and diabetes using rational drug discovery approaches, and his efforts led to several clinical and pre-clinical candidates which are being developed for Cancer, Pain, Type-2 Diabetes, AIDS & Hyperlipidemia. He is currently co-founder and chairman of Rational Labs Inc., San Diego, CA, USA and Rational Labs (P) Ltd. Hyderabad.
Prof. Eddy Arnold is a Board of Governors Professor and Distinguished Professor in Department of Chemistry and Center for Advanced Biotechnology & Medicines at Rutgers University, New Jersey, USA. He is also a member of Cancer Institute of New Jersey. Prof. Eddy Arnold has contributed significantly to understand the molecular mechanism of drug resistance and applied structure based drug design for the treatment of serious human disease. His 25 year’s of ground breaking research on the structure and function of HIV proteins, especially on reverse transcriptase (RT), an essential component of the AIDS virus, has enabled discovery and development of two FDA approved drugs. His research group is still pursuing research on growing problem presented by resistant strains of HIV. In addition to HIV, his group is actively involved in structural studies of: 1) bacterial RNA polymerase holoenzyme complexes with inhibitors and substrates 2) influenza virus polymerase.
☛ M.R.N. Murthy, Indian Institute of Science, Bangalore
☛ Dinker M. Salunke, International Centre for Genetic Engineering & Biotechnology, New Delhi
☛ Shekhar C. Mande, National Centre for Cell Science, Pune
☛ B. Gopal, Indian Institute of Science, Bangalore
☛ Anand K. Kondapi, University of Hyderabad, Hyderabad
☛ Lalitha Guruprasad, University of Hyderabad, Hyderabad
☛ H. A. Nagarajaram, University of Hyderabad, Hyderabad
☛ A. Anthony, Indian Institute of Chemical Technology, Hyderabad
☛ S. Gourinath, Jawaharlal Nehru University, New Delhi
☛ R.S. Rathore, Central University of South Bihar, Gaya
☛ J.A.R.P. Sarma, GVK Biosciences Pvt. Ltd., Hyderabad
☛ P. V. Bharatham, National Institute of Pharmaceutical Education & Research, Hyderabad
☛ V. Sreedhara, INDRAS Pvt. Ltd., Hyderabad
☛ Sudir Kulkarni, VLife Sciences Technologies Pvt. Ltd., Pune