Ebselen derivatives inhibit SARS-CoV-2 replication by inhibition of its essential proteins: PL and M proteases, and nsp14 guanine N7-methyltransferase.

Proteases encoded by SARS-CoV-2 constitute a promising target for new therapies against COVID-19. SARS-CoV-2 main protease (M, 3CL) and papain-like protease (PL) are responsible for viral polyprotein cleavage-a process crucial for viral survival and replication. Recently it was shown that 2-phenylbenzisoselenazol-3(2H)-one (ebselen), an organoselenium anti-inflammatory small-molecule drug, is a potent, covalent inhibitor of both the proteases and its potency was evaluated in enzymatic and antiviral assays.

Optimized Ebselen-Based Inhibitors of Bacterial Ureases with Nontypical Mode of Action.

Screening of 25 analogs of Ebselen, diversified at the N-aromatic residue, led to the identification of the most potent inhibitors of urease reported to date. The presence of a dihalogenated phenyl ring caused exceptional activity of these 1,2-benzisoselenazol-3(2)-ones, with value in a low picomolar range (<20 pM). The affinity was attributed to the increased π-π and π-cation interactions of the dihalogenated phenyl ring with αHis323 and αArg339 during the initial step of binding.

Discovery of 5-{2-[5-Chloro-2-(5-ethoxyquinoline-8-sulfonamido)phenyl]ethynyl}-4-methoxypyridine-2-carboxylic Acid, a Highly Selective in Vivo Useable Chemical Probe to Dissect MCT4 Biology.

Due to increased lactate production during glucose metabolism, tumor cells heavily rely on efficient lactate transport to avoid intracellular lactate accumulation and acidification. Monocarboxylate transporter 4 (MCT4/SLC16A3) is a lactate transporter that plays a central role in tumor pH modulation. The discovery and optimization of a novel class of MCT4 inhibitors (hit ), identified by a cellular screening in MDA-MB-231, is described.

Synthesis and Electrochromic Properties of Conducting Polymers Based on Highly Planar 2,7-Disubstituted Xanthene Derivatives.

On the basis of preliminary DFT calculations, p-type semiconducting polymers based on 2,7-substituted xanthene building blocks that show a high degree of planarity were designed. The synthesis, electrochemical characterization, and theoretical modeling of 2,7-bis(thiophen-2-yl)-9,9-dimethylxanthene (1) and 2,7-bis(3-hexylthiophen-2-yl)-9,9-dimethylxanthene (2) is described. The synthetic procedure is based on the incorporation of thiophene rings by means of Pd-catalyzed cross-coupling reactions, which lead to monomers 1 and 2.

Comparative study of alternating low-band-gap benzothiadiazole co-oligomers.

The benzothiadiazole-arylene alternating conjugated oligomers have been designed and synthesized via Suzuki coupling reaction. The structures and properties of the conjugated oligomers were characterized by (1)HNMR, (13)CNMR, UV-vis absorption spectroscopy, photoluminescence (PL) spectroscopy. The luminescent measurements demonstrate that polybenzothiadiazoles are good chromophores able to form thin films by Langmuir-Blodgett (LB) technique, making them suitable for further applications.