Medicinal Chemistry for 2020

Abstract

Rapid advances in our collective understanding of biomolecular structure and, in concert, of biochemical systems, coupled with developments in computational methods, have massively impacted the field of medicinal chemistry over the past two decades, with even greater changes appearing on the horizon. In this perspective, we endeavor to profile some of the most prominent determinants of change and speculate as to further evolution that may consequently occur during the next decade. The five main angles to be addressed are: protein–protein interactions; peptides and peptidomimetics; molecular diversity and pharmacological space; molecular pharmacodynamics (significance, potential and challenges); and early-stage clinical efficacy and safety. We then consider, in light of these, the future of medicinal chemistry and the educational preparation that will be required for future medicinal chemists.

A Molecular-Modeling Toolbox Aimed at Bridging the Gap between Medicinal Chemistry and Computational Sciences

“…In their perspective on the future of medicinal chemistry, Satyanarayanajois and Hill [55] stated that emerging medicinal chemists should additionally acquire “computational and cheminformatics acumen considerably greater than in years past”. In a related analysis, Ritchie and McLay [56] concluded that the goal of encouraging medicinal chemists to rely more on computational chemistry tools could be best achieved via specially designed tools that are “well-thought-out, suitable for their needs, able to generate useful, timely and valid results”.…”

Medicinal chemistry and the Bachelor of Pharmacy curriculum: Assessment of student’s perspectives, needs and barriers

“…Alsharif and colleagues made innovations in MC education relating drug structure knowledge to formulating therapeutic decisions [14]. Such strategies, and other new ones can be investigated in future research [15].…”

Development of Broad-Spectrum Antibiofilm Drugs: Strategies and Challenges

“…One straightforward approach is to structurally modify the failed compounds employing the technologies of medicinal chemistry and computational biology to come up with chemical analogs having similar potency and mechanism of action. This approach is found to be successful in overcoming various defects in drug candidates such as low bioavailability, weak interaction with the target molecule and toxicity [73].…”