ACS spring fest 2022
I am excited to head to San Diego to attend the ACS Spring Fest 2022 on March 20. It was an amazing experience since I had the chance to attend the event in-person after 2 years. I met a lot of really cool and phenomenal people who made the event a whole lot of fun.
Thanks to ACS’s amazing team for organizing such a spectacular event and giving me the chance to present my research on 'Investigating the Interaction between Surfactant protein - D and Trimannose - a Molecular Dynamics Study'.
The Minkara COMBINE (Computational Modeling for BioInterface Engineering) Lab at Northeastern University implements computational methods to probe molecular interactions at biological interfaces, such as the pulmonary surfactant system and its components. Pulmonary surfactant (PS) is acritical mixture found in the lungs at the air-water interface that assists breathing regulation and sequestration of pathogens that attempt to enter through the airway. One of the main components of the pulmonary surfactant system, Surfactant Protein D (SP-D), has been the subject of experimental studies due to its immunological response against glycan-containing pathogens, including SARS-Cov-2 and influenza. Utilizing computational models of these surfactant proteins elucidates the critical structural and mechanistic properties of surfactant proteins, the effects of foreign compounds on the system, and offers insight into pathways for improving drug delivery systems. Our computational experiments incorporate methods such as Monte Carlo, Molecular Dynamics simulations, and Molecular Docking. This talk will provide a brief overview of ongoing projects in the COMBINE Lab and a more detailed review of the interactions between the immunoprotein SP-D and trimannose, which will yield insights into the interactions between SP-D and pathogens possessing exterior trimannose moieties.