Carbonic anhydrases (CAs, EC 4.2. 1.1) are ubiquitous metallo-enzymes, present
throughout most living organisms and encoded by five evolutionarily unrelated gene …

The influence of a xenobiotic compound on an organism is usually summarized by the
expression biological activity. If a controlled, therapeutically relevant, and regulatory action …

This manuscript presents the latest algorithmic and methodological developments to the
structure‐based design program DOCK 6.7 focused on an updated internal energy function …

Carbonic anhydrase (CA, EC 4.2. 1.1) is a protein that is especially well-suited to serve as a
model in many types of studies in biophysics, bioanalysis, the physical-organic chemistry of …

By optimizing binding to a selected target protein, modern drug research strives to develop
safe and efficacious agents for the treatment of disease. Selective drug action is intended to …

Overexpression of the zinc enzyme carbonic anhydrase (CA; EC 4.2. 1.1) XII is observed in
certain human cancers. This bitopic membrane protein contains an N-terminal extracellular …

There was a time gap of over 40 years between the demonstrated oral effectiveness of
acetazolamide in lowering the intraocular pressure (IOP) of glaucoma patients and the …

Protein-specific detection or imaging is important in medical diagnosis to detect protein
biomarkers, as well as in biology to investigate cellular processes. Small-molecule …

Computational lead design procedures require fast and accurate scoring functions to rank
millions of generated virtual ligands for protein targets. In this article, we present an …

An expanded set of diversely substituted 1, 2, 4-oxadiazole-containing primary aromatic
sulfonamides was synthesized and tested for inhibition of human carbonic anhydrase I, II, IX …