Life Sciences & Biotechnology
Title : | Determination of the protein folding, unfolding and refolding of spike glycoprotein of SARS Corona Virus-2 in Rubik's Cube based statistical model and study of the thermodynamic interaction and kinetic behavior of the various equilibrated conformations with receptor of angiotensin converting enzyme-2 (ACE-2) |
Area of research : | Life Sciences & Biotechnology |
Principal Investigator : | Dr. Paramita Haldar, Birla Institute Of Technology & Science (BITS) Pilani, Goa |
Timeline Start Year : | 2022 |
Timeline End Year : | 2025 |
Contact info : | paramita.haldar82@gmail.com |
Equipments : | Workstation/Server with 56 CPU Cores/ Nodes(Additional) |
Details
Executive Summary : | Coronaviruses, including SARS-CoV2, have caused significant global health issues, with the SARS-COV2 coronavirus being the most dangerous. The spike glycoprotein of SARS coronavirus plays a crucial role in infection, and recent studies have found that SAR-COV2 exhibits different strains in different countries due to mutations. However, the functional information of these cases is not clearly represented, and few have been identified. A comprehensive protein folding-unfolding study can provide detailed functional information about various mutations and their interaction with the host. Several studies have confirmed that the spike glycoprotein fragment enters the host cell through angiotensin converting enzyme 2 (ACE), which could be useful for drug design for COVID-19 diagnosis. This work proposes developing a Rubik's cube model (RCM)-based computer simulation methodology to study the folding, unfolding, and refolding kinetics of spike glycoprotein. The study will also compare the kinetic features of folding and unfolding using statistical energy landscape theory (SELT). The research will contribute to a better understanding of different types of structures and molecular processes associated with SARS-COV, which will highlight the variety of diseases caused by SARS-COV. Molecular screening will also provide insights into drug discovery and diagnosis for various types of SARS-COV strains. |
Total Budget (INR): | 25,23,400 |
Organizations involved