Most of the drugs and pharmacologically relevant molecules possess heterocyclic ring
structures and presence of hetero atoms or groupings divulges privileged specificities in …

As the global burden of antibiotic resistance continues to grow, creative approaches to
antibiotic discovery are needed to accelerate the development of novel medicines. A rapidly …

Affinity selection-mass spectrometry (AS-MS) is a high-throughput screening (HTS)
technique for drug discovery that enables rapid screening of large collections of compounds …

Although the potential value of RNA as a target for new small molecule therapeutics is
becoming increasingly credible, the physicochemical properties required for small …

Drug-resistant bacteria pose an increasingly serious threat to mankind all over the world.
However, the currently available clinical treatments do not meet the urgent demand …

Neglected tropical diseases continue to create high levels of morbidity and mortality in a
sizeable fraction of the world's population, despite ongoing research into new treatments …

Dihydrofolate reductase (DHFR), a core enzyme of folate metabolism, plays a crucial role in
the biosynthesis of purines and thymidylate for cell proliferation and growth in both …

There is a compelling need to find drugs active against Mycobacterium tuberculosis (Mtb).
4′-Phosphopantetheinyl transferase (PptT) is an essential enzyme in Mtb that has attracted …

Abstract Machine learning (ML) is becoming capable of transforming biomolecular
interaction description and calculation, promising an impact on molecular and drug design …

Introduction After the initial wave of antibiotic discovery, few novel classes of antibiotics have
emerged, with the latest dating back to the 1980's. Furthermore, the pace of antibiotic drug …