Zhi, Yunbao published the artcileLead compounds and key residues of ribosomal protein S1 in drug-resistant Mycobacterium tuberculosis, Recommanded Product: 4-Iodo-3-(trifluoromethyl)-1H-pyrazole, the publication is Bioorganic Chemistry (2019), 58-67, database is CAplus and MEDLINE.
Ribosomal protein S1 (RpsA) has been identified as a novel target of pyrazinoic acid (POA), which is the active form of pyrazinamide (PZA), in vivo. RpsA plays a crucial role in trans-translation, which is widespread in microbes. In our investigation, we first described the discovery of promising RpsA antagonists for drug-resistant mycobacterium (MtRpsAd438A) and M. smegmatis, as well as wild-type M. tuberculosis. These antagonists were discovered via structure/ligand-based virtual screening approaches. A total of 21 targeted compounds were selected by virtual screening, combined scores, affinity, similarities and rules for potential as drugs. Next, the affinities of these compounds for three targeted proteins were tested in vitro by applying various technologies, including fluorescence quenching titration (FQT), saturation transfer difference (STD), and chem. shift perturbation (CSP) assays. The results showed that seven compounds had a high affinity for the targeted proteins. Our discovery set the stage for discovering new chem. entities (NCEs) for PZA-resistant tuberculosis and providing key residues for rational drug design to target RpsA.
Bioorganic Chemistry published new progress about 866638-72-4. 866638-72-4 belongs to iodides-buliding-blocks, auxiliary class Trifluoromethyl,Pyrazole,Fluoride,Iodide, name is 4-Iodo-3-(trifluoromethyl)-1H-pyrazole, and the molecular formula is C22H18O2, Recommanded Product: 4-Iodo-3-(trifluoromethyl)-1H-pyrazole.
Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com