Indazoles are of considerable interest due to the broad variety of their biological activities.
This overview summarizes structures of pharmacologically interesting indazoles published …

Fragment-based and de novo design strategies have been used in drug discovery for years.
The methodologies for these strategies are typically discussed separately, yet the …

Accurately predicting relative binding affinities and biological potencies for ligands that
interact with proteins remains a significant challenge for computational chemists. Most …

A series of 138 nonchiral 3-amidinobenzyl-1 H-indole-2-carboxamides and analogues as
inhibitors of the blood coagulation enzyme factor Xa (fXa) were designed, synthesized, and …

Themisone, also known as Atrolactamide, was found, in the 1950s, to be a very potent
anticonvulsant. It was hypothesized that the-CF3 substitution would maintain the …

Selective Synthesis of 1-Functionalized-alkyl-1H-indazoles | Organic Letters ACS ACS
Publications C&EN CAS Find my institution Log In Organic Letters ACS Publications. Most …

Relative free energies for a series of not too different compounds can be estimated
accurately from a single simulation of an unphysical reference state that encompasses the …

Despite advances in targeted anticancer therapies, there are still no small-molecule-based
therapies available that specifically target colorectal cancer (CRC) development and …

A scale-up synthesis of antidepressant drug vilazodone was accomplished in five steps.
Friedel–Crafts acylation of 1-tosyl-1 H-indole-5-carbonitrile with 4-chlorobutyryl chloride …

Factor Xa (fXa) is a serine protease that plays a critical role in the blood coagu-lation
process and qualifies as an attractive target for finding new antithrombotics. In the case of …