Importance of the field: The role of lipophilicity in determining the overall quality of candidate
drug molecules is of paramount importance. Recent developments suggest that, as well as …

Introduction There continues to be an exponential rise in the number of small molecule
drugs that contain either a fluorine atom or a fluorinated fragment. While the unique …

Physicochemical properties such as lipophilicity and molecular mass are known to have an
important influence on the absorption, distribution, metabolism, excretion and toxicity …

The development of efficacious NNRTIs for AIDS therapy commonly encountered the rapid
generation of drug-resistant mutations, which becomes a major impediment to effective anti …

The melanocortin-4 receptor (MC4R) is a centrally expressed, class A GPCR that plays a
key role in the regulation of appetite and food intake. Deficiencies in MC4R signaling result …

Introduction: Computational methods have been widely applied to toxicology across
pharmaceutical, consumer product and environmental fields over the past decade. Progress …

With increasing drug resistance in tuberculosis (TB) patient populations, there is an urgent
need for new drugs. Ideally, new agents should work through novel targets so that they are …

BMS-813160 (compound 3) was identified as a potent and selective CCR2/5 dual
antagonist. Compound 3 displayed good permeability at pH= 7.4 in PAMPA experiments …

ABSTRACT Introduction Lipophilic efficiency (LipE) and lipophilic metabolic efficiency
(LipMetE) are valuable tools that can be utilized as part of a multiparameter optimization …

The hERG (human ether-a-go-go-related gene) encoded potassium ion (K+) channel plays
a major role in cardiac repolarization. Drug-induced blockade of hERG has been a major …