Mitigating heterocycle metabolism in drug discovery

DJ St. Jean Jr, C Fotsch - Journal of medicinal chemistry, 2012 - ACS Publications
In the past few decades, drug metabolism research has played an ever increasing role in the
design of drugs. 1− 3 In vitro metabolism assays 4 have become an integral part of the …

Factor Xa inhibitors: next-generation antithrombotic agents

DJP Pinto, JM Smallheer, DL Cheney… - Journal of medicinal …, 2010 - ACS Publications
Thrombosis is the underlying cause of a host of common, debilitating, and often fatal
cardiovascular disorders. Formation of thrombi in the arterial circulation can lead to acute …

Current and emerging direct oral anticoagulants: state-of-the-art

G Lippi, R Gosselin, EJ Favaloro - Seminars in thrombosis and …, 2019 - thieme-connect.com
Anticoagulant drugs comprise a specific subcategory of antithrombotic agents that act to
inhibit blood coagulation at various stages, reducing clot development and ultimately …

Metabolism-guided drug design

AF Stepan, V Mascitti, K Beaumont, AS Kalgutkar - MedChemComm, 2013 - pubs.rsc.org
Preclinical drug metabolism studies play a key role in the lead identification and optimization
process in drug discovery. Characterization of the metabolic pathways of new chemical …

Enantioselective synthesis of chiral β-hydroxy sulfones via manganese catalyzed asymmetric hydrogenation

J He, W Mao, J Lin, Y Wu, L Chen, P Yang… - Organic Chemistry …, 2023 - pubs.rsc.org
Chiral β-hydroxy sulfones are important building blocks and can be found in many bioactive
compounds and pharmaceuticals. In this work, we realized the first example of manganese …

Systematic investigation of docking failures in large-scale structure-based virtual screening

M Xu, C Shen, J Yang, Q Wang, N Huang - ACS omega, 2022 - ACS Publications
In recent years, large-scale structure-based virtual screening has attracted increasing levels
of interest for identification of novel compounds corresponding to potential drug targets. It is …

Leveraging nitrogen occurrence in approved drugs to identify structural patterns

VH Masand, S Al-Hussain, AY Alzahrani… - Expert Opinion on …, 2024 - Taylor & Francis
Background The process of drug development and discovery is costly and slow. Although an
understanding of molecular design principles and biochemical processes has progressed, it …

Copper(II)Chloride-Mediated Cyclization Reaction of N-Alkoxy-ortho-alkynylbenzamides

M Jithunsa, M Ueda, O Miyata - Organic Letters, 2011 - ACS Publications
A regioselective intramolecular cyclization/halogenation reaction of N-alkoxy-o-
alkynylbenzamides with CuCl2/NCS was developed. The corresponding 3 …

Cnidarian pattern recognition receptor repertoires reflect both phylogeny and life history traits

MA Emery, BA Dimos, LD Mydlarz - Frontiers in Immunology, 2021 - frontiersin.org
Pattern recognition receptors (PRRs) are evolutionarily ancient and crucial components of
innate immunity, recognizing danger-associated molecular patterns (DAMPs) and activating …

Oral, direct thrombin and factor Xa inhibitors: the replacement for warfarin, leeches, and pig intestines?

A Straub, S Roehrig, A Hillisch - … Chemie International Edition, 2011 - Wiley Online Library
To prevent thromboses after surgery, patients have until now had to inject themselves daily
with heparin. For stroke prophylaxis in atrial fibrillation, patients take vitamin K antagonists of …