Pharmaceutical structure montages as catalysts for design and discovery.

Future Med Chem

Department of Chemistry & Biochemistry, University of Arizona, 1306 E. University Boulevard, Tucson, AZ 85721, USA.

Published: May 2012

Majority of pharmaceuticals are small molecule organic compounds. Their structures are most effectively described and communicated using the graphical language of organic chemistry. A few years ago we decided to harness this powerful language to create new educational tools that could serve well for data mining and as catalysts for discovery. The results were the Top 200 drug posters, which we have posted online for everyone to enjoy and update yearly. This article details the origin and motivation for our design and highlights the value of this graphical format by presenting and analyzing a new pharmaceutical structure montage (poster) focused on US FDA approved drugs in 2011.

Download full-text PDF

Source
http://dx.doi.org/10.4155/fmc.12.30DOI Listing

Publication Analysis

Top Keywords

pharmaceutical structure
8
structure montages
4
montages catalysts
4
catalysts design
4
design discovery
4
discovery majority
4
majority pharmaceuticals
4
pharmaceuticals small
4
small molecule
4
molecule organic
4

Similar Publications

Background: Drug-drug interactions (DDIs) especially antagonistic ones present significant risks to patient safety, underscoring the urgent need for reliable prediction methods. Recently, substructure-based DDI prediction has garnered much attention due to the dominant influence of functional groups and substructures on drug properties. However, existing approaches face challenges regarding the insufficient interpretability of identified substructures and the isolation of chemical substructures.

View Article and Find Full Text PDF

Introduction: The global prevalence of people living with overweight has tripled since 1975 and more than 40% of Danish women enter pregnancy being overweight. With the increasing rates of obesity observed in children, adolescents and adults, there is an urgent need for preventive measures. Risk factors for childhood obesity include maternal overweight or obesity before conception and excessive weight gain during pregnancy.

View Article and Find Full Text PDF

Pharmacological Characterization of the Novel Selective Kappa Opioid Receptor Agonists 10-Iodo-Akuammicine and 10-Bromo-Akuammicine in Mice.

Neuropharmacology

January 2025

Center for Substance Abuse Research, Lewis Katz School of Medicine, Temple University, Philadelphia, PA, USA. Electronic address:

Akuammicine (AKC), an indole alkaloid, is a kappa opioid receptor (KOR) full agonist with a moderate affinity. 10-Iodo-akuammicine (I-AKC) and 10-Bromo-akuammicine (Br-AKC) showed higher affinities for the KOR with K values of 2.4 and 5.

View Article and Find Full Text PDF

Dectin-1 (CLEC7A), a C-type lectin-like receptor that recognizes β-1,3 glucans, has a key role in the innate immune system. While the lectin domain of mouse Dectin-1 has been solubilized and refolded from inclusion bodies in Escherichia coli, similar refolding of the human Dectin-1 lectin domain is hindered by the formation of misfolded multimers with aberrant intermolecular disulfide bonds. The aim of this study was to develop a method for the large-scale production of the human Dectin-1 lectin domain.

View Article and Find Full Text PDF

Recombinant Antibodies Inhibit Enzymatic Activity of the E3 Ubiquitin Ligase CHIP via Multiple Mechanisms.

J Biol Chem

January 2025

Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA 94158, USA; Department of Cellular and Molecular Pharmacology, University of California, San Francisco, San Francisco, CA 94158, USA. Electronic address:

Carboxyl-terminus of Hsp70-Interacting Protein (CHIP) is an E3 ubiquitin ligase that marks misfolded substrates for degradation. Hyper-activation of CHIP has been implicated in multiple diseases, including cystic fibrosis and cancer, suggesting that it may be a potential drug target. However, there are few tools available for exploring this possibility.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!