The OREGANO knowledge graph for computational drug repurposing.

Drug repositioning is a faster and more affordable solution than traditional drug discovery approaches. From this perspective, computational drug repositioning using knowledge graphs is a very promising direction. Knowledge graphs constructed from drug data and information can be used to generate hypotheses (molecule/drug - target links) through link prediction using machine learning algorithms.

Two-Site O-H Addition to an Iridium Complex Featuring a Nonspectator Tricoordinate Phosphorus Ligand.

The synthesis and reactivity of an ambiphilic iridium complex IrCl(PPh)() (; = P(N(-N(2-pyridyl)CH))) featuring a chelating nontrigonal phosphorus triamide ligand is reported. The tandem Lewis basic Ir and Lewis acidic P of achieve a two-site oxidative addition of phenol giving the iridaphenoxyphosphorane species IrHCl(PPh)() (). In contrast, reactions of with benzenethiol and benzeneselenol do not engage and instead proceed via metal-centered oxidative addition of the chalcogen-hydrogen bond.

A closed-shell monomeric rhenium(1-) anion provided by m-terphenyl isocyanide ligation.

The mixed isocyanide/carbonyl complexes cis- and trans-[Re(CO)3Br(CNArDipp2)2] (ArDipp2 = 2,6-(2,6-(i-Pr)2C6H3)2C6H3) can be synthesized from reactions of [Re(CO)5Br] and CNArDipp2 depending on the conditions applied. Reduction of the neutral Re(i) species gives the monoanionic complex [Re(CO)3(CNArDipp2)2]- or the neutral [Re(CO)3(CNArDipp2)2], which contain rhenium in the formal oxidation states "-1" and "0", respectively.

Terminal coordination of diatomic boron monofluoride to iron.

Boron monofluoride (BF) is a diatomic molecule with 10 valence electrons, isoelectronic to carbon monoxide (CO). Unlike CO, which is a stable molecule at room temperature and readily serves as both a bridging and terminal ligand to transition metals, BF is unstable below 1800°C in the gas phase, and its coordination chemistry is substantially limited. Here, we report the isolation of the iron complex Fe(BF)(CO)(CNAr) [Ar, 2,6-(2,4,6-(Pr)CH]CH; -Pr, -propyl], featuring a terminal BF ligand.

Controlled Expansion of a Strong-Field Iron Nitride Cluster: Multi-Site Ligand Substitution as a Strategy for Activating Interstitial Nitride Nucleophilicity.

Multimetallic clusters have long been investigated as molecular surrogates for reactive sites on metal surfaces. In the case of the μ -nitrido cluster [Fe (μ -N)(CO) ] , this analogy is limited owing to the electron-withdrawing effect of carbonyl ligands on the iron nitride core. Described here is the synthesis and reactivity of [Fe (μ -N)(CO) (CNAr ) ] , an electron-rich analogue of [Fe (μ -N)(CO) ] , where the interstitial nitride displays significant nucleophilicity.

Topical timolol in open-angle glaucoma.

Timolol theraphy was started in 37 patients with open-angle glaucoma whose intraocular pressure was inadequately controlled with maximum medical theraphy or who were having side effects with conventional medication. The intraocular pressure was substantially reduced by timolol in most of the patients, and there were relatively few side effect. A slight decrease in the pulse rate occured in some patients.