Research and Development: User projects

Abstract: Antimicrobial resistance poses a significant threat to public health, with projections indicating a substantial increase in related fatalities by 2050. Bee products, known for their diverse microbiota, harbor a rich source of antimicrobial secondary metabolites that could offer novel therapeutic solutions. In this project, we aim to computationally investigate these secondary metabolites to elucidate their potential as antimicrobial agents. In this research endeavor, we propose a computational studies of these secondary metabolites to unlock their therapeutic promise. Through advanced molecular dynamics simulations and quantum chemical calculations, we seek to unravel the structural intricacies and dynamic behavior of these compounds. Our toolkit includes state-of-the-art software like GROMACS for classical molecular dynamics simulations and Gaussian for quantum chemical calculations.

Potential Outcomes: Our computational simulations holds promise for uncovering valuable insights into the antimicrobial potential of the isolated secondary metabolites from bee products. By deciphering the structural dynamics and energetic landscapes of these molecules, we aim to pinpoint promising candidates for subsequent experimental validation as antimicrobial agents. Additionally, our discoveries may catalyze the development of innovative strategies for combating antimicrobial resistance, heralding a new era of therapeutic interventions.

In essence, this project represents a pivotal stride towards leveraging the prowess of computational biology to address pressing global health challenges. It underscores the indispensable role of cutting-edge computational resources in modern scientific research and underscores our commitment to pioneering solutions for combating antimicrobial resistance.