Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool for
fragment-based drug discovery over the last two decades. While NMR has been traditionally …

In the past three decades, nitric oxide has been well established as an important bioactive
molecule implicated in regulation of cardiovascular, nervous, and immune systems …

The present art of drug discovery and design of new drugs is based on suicidal irreversible
inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition …

Fragment based drug design has emerged as an effective alternative to high throughput
screening for the identification of lead compounds in drug discovery in the past fifteen years …

The recent pandemic of severe acute respiratory syndrome–coronavirus2 (SARS-CoV-2)
infection (COVID-19) has put the world on serious alert. The main protease of SARS-CoV-2 …

In this Perspective, we focus on new, systems-centric views of structure-based drug design
(SBDD) that we believe will impact future drug discovery research and development. We will …

Fragment-based drug discovery (FBDD) using NMR has become a central approach over
the last twenty years for development of small molecule inhibitors against biological …

Fragment‐based drug design (FBDD) is a promising approach for the discovery and
optimization of lead compounds. Despite its successes, FBDD also faces some internal …

The aggregation of intrinsically disordered peptides and proteins is associated with a wide
range of highly debilitating neurological and systemic disorders. In this work we explored the …

For several decades, hit identification for drug discovery has been facilitated by
developments in both fragment‐based and high‐throughput screening technologies …