Design of Selective G-quadruplex Ligands as Potential Anticancer Agents

Over the past decade, small-molecule drugs have remained the dominant force among approved therapeutics. Recent advances in artificial intelligence and structural biology now enable researchers to discover novel targets for small molecule inhibitors with greater precision and to pursue rational drug design, markedly accelerating the development of new small molecule ...read more

This Thematic Issue will focus on the integration of artificial intelligence (AI) and generative models into medicinal chemistry, highlighting how these tools are reshaping drug discovery and development. The issue will provide readers with an overview of state-of-the-art algorithms, successful case studies, and translational opportunities, while also addressing current challenges ...read more

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