MK-0616: The 2023 Molecule of the Year

Imagine having access to an almost infinite amount of chemical space that could include the next blockbuster medicine waiting to be discovered. The challenge for medicinal chemists is balancing the exploration of this vast space in early drug discovery with the need for focused exploration in later stages. This article explores the genesis of a new AI-powered drug design tool, AIDDISON™ from MilliporeSigma, and how this platform can benefit discovery teams around the world.

Drug Hunter has sifted through news articles, press releases, financial disclosures, SEC filings and more to bring you a roundup of 2023's biggest mergers and acquisitions (M&A) in the drug discovery world. In this 4-part series we will give you an open-access overview of the M&A landscape, and then for Drug Hunter members in the coming weeks, we will be providing in-depth coverage and analysis of the small molecule-focused (parts 2 & 3) and biologics-based deals (part 4). This premium content includes background on the targets, chemical/biological matter and clinical data driving these deals.

Among the small molecule highlights in January’s news were a $100M+ Series A for a PARP1 + PI3Kα-focused company, clinical data with an SLC inhibitor for PKU, a 5-HT2C superagonist for seizures, and a NK1,3 dual antagonist for women’s health. A novel anti-obesity agent from phenotypic screening also made headlines, and the close of a major acquisition may bring relief to the industry. You can read about these notable scientific highlights and more below.

One of the key challenges in CNS projects is achieving sufficient unbound brain exposure to engage the target. To predict CNS exposure, scientists employ metrics like CNS MPO scores from Pfizer and Merck, Bayesian models, and methods for balancing physicochemical properties. However, these in silico metrics often fail to correlate well with experimental data. Schrödinger's team has discovered the energy of solvation (E-sol) metric, which accurately predicts Kp,uu and has been validated with CNS-penetrant DLK inhibitors. Explore more in this detailed Drug Hunter article.

The impact of small and mid-sized biotech companies has become increasingly important. The shift from large pharma dominance to a biotech-driven era of drug discovery presents challenges to the traditional model of education for emerging medicinal chemists. Industry leader Dean Brown recently highlighted challenges for modern medicinal chemists starting in biotech who face fewer mentoring opportunities and are often propelled into leadership positions sooner than their counterparts in big pharma. Here we share how our team of former industry scientists at Drug Hunter can help.