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Neglected Tropical Diseases (NTDs) are represented by a group of distinct illnesses that affect the most vulnerable segment of the population, negatively impacting the Economy and Public Health. For example, like snakebite, leishmaniasis disproportionately affects vulnerable populations in tropical and subtropical regions. The search for safe drugs against various diseases ...read more

According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more

In drug discovery, established knowledge of functional groups, their chemical behaviors, and structure-activity relationships favor chemists to achieve desired efficacy and safety profiles within the novel designed medicinal products. Here, judicious integration of different tools and techniques of chemistry also plays a fundamental role towards the selection of the processes ...read more

The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more