Submission Tilte
Integrated In-Vitro and In-Silico Approaches in Natural Product Research: From Phytochemistry to Antimicrobial Discovery, Computational Modeling, and Green Nanobiotechnology
Submission Abstract:
The escalating global burden of antimicrobial resistance (AMR) necessitates innovative strategies for discovering effective therapeutic agents from natural sources. This thematic issue focuses on the integrated evaluation of natural products—including plant extracts, essential oils, marine-derived metabolites, and environmental microbial isolates—using both in-vitro and in-silico approaches. Contributions emphasizing antimicrobial screening, antibiofilm activity, time-kill kinetics, mechanism-based assays, and green synthesis of nanoparticles are encouraged. Additionally, computational studies involving molecular docking, molecular dynamics simulations, binding free energy analysis, and target-based drug discovery approaches will be welcomed to complement experimental findings. Studies exploring synergistic effects with conventional antibiotics and nano-enhanced bioactivity are also of interest. This issue aims to bridge phytochemistry, microbiology, computational biology, and nanotechnology to accelerate translational research against multidrug-resistant pathogens.