U.S.-India Catalyzing New International Collaboration with Anna University for Computational Enzyme Design Research: Sirt1 and Sirt3

Carnegie Mellon University, Pittsburgh PA

Investigators

Abstract

1157446 Chakrabarti This award will catalyze a new international research collaboration in chemical engineering between Purdue University, Indiana and Anna University, Chennai, India. Dr. Raj Chakrabarti, School of Chemical Engineering will collaborate with Dr. Krishnan Baskar, Crystal Growth Center and the Department of Chemical Engineering, Alagappa College of Technology at Anna University. The project, Computational Enzyme Design Research: Sirt1 and Sirt3, will study the evolutionary dynamics of Sirtuin enzymes vis-à-vis the binding of small molecules with the ultimate goal of treating age-related diseases such as cancer, diabetes, Alzheimer's and Parkinson's. This project will involve both computer aided sequence and binding-site analysis of enzymes and experimental verification of the predicted activities of computer generated sequences and structures. The computational program will entail extensive project-specific enzyme design code development within the framework of the Chakrabarti general enzyme design protocols. Enhancement of design algorithms and experimental work will be conducted at Purdue; while the enzyme specific code development will be at Anna, which brings world-class computational code development capabilities and university-wide computational proficiency. Prof. Baskar's expertise in crystallography provides technical knowledge that is critical to the success of this project. NSF funding will enable the PI to strengthen collaborative linkages between Anna and Purdue universities. The initial visit by the PI and two advanced graduate students will allow them to define the scope of the project, discuss details with faculty and students, and delineate activities at individual levels. For at least one of the US-graduate students, the visit will provide a unique international research experience. The project brings together complementary strengths from both teams and institutions, and fosters innovation cost-effectively by mobilizing international research teams through its focus on a grand challenge problem with global implications. The findings from this exploratory study will provide the groundwork for a subsequent proposal likely to be submitted to the NSF/CBET, Bioengineering and Engineering Healthcare Program.