Roles of the Chloro and Methoxy Groups in Drug Discovery

Drug lipophilicity is a core property that contributes to drug solubility, permeability, metabolic disposition, and other key properties. Increasing lipophilicity can often lead to increased affinity in relevant biological assays due to the hydrophobic nature of many protein binding pockets,  but this may also increase promiscuity to [...]

In this Flash Talk, Katarina Leftheris highlights how advances in our understanding of ADME requirements, screening technologies, formulations development and computational modeling helped macrocycles back on the center stage of the industry.

As part of our Flash Talk webinar series, we present a PDF of Katarina Letheris'slide deck, entitled "Advancing Macrocycles in Drug Discovery". Check out the recording of the talk on our Drug Hunter YouTube channel.

This article compiles recent high-profile clinical readouts and related news with small molecules of general interest and structures where they are available. Targets and indications discussed in this article include BTK for MS, Axl, TYRO3, and Mer for oncology, HIF prolyl-hydroxylase in anemia, ET/AT in nephrology, a JAK2 inhibitor for myelofibrosis, and THR-beta in NASH. [...]

As part of our Coffee Chat webinar series, our team (Lew Pennington, Matt Hesse, and Dennis Koester), explored Drug Hunter’s patent highlight feature and shared their favorite molecules and notable stories from recent patent filings. we present a PDF of the slide deck. Check out the recording of the talk on our Drug Hunter YouTube channel.

The real magic happens when chemists can integrate computational models into their assay cascades, thanks to trust in their predictions. To get there, grounding computational predictions in physics and experimental reality makes all the difference. In this article, Abba E. Leffler, Ph.D. from Schrödinger tells us about: How to make [...]