An orange-coloured, aerobic, motile and short-rods bacterial strain, designated EGI 6500337T, was isolated from the surface-sterilized root of a halophyte Anabasis elatior (C. A. Mey.) Schischk collected from Urumqi, Xinjiang province, north-west China. Growth occurred at 5-35 °C (optimum 30 °C), at pH 6.0-9.0 (optimum pH 7.0), and in the presence of 0-6 % NaCl (w/v) (optimum 0-1 %). Phylogenetic tree based on 16S rRNA gene sequences indicated that strain EGI 6500337T formed a distinct lineage in the cluster that comprised the genera Aurantimonas and Aureimonas in the family Aurantimonadaceae. The 16S rRNA gene sequence of strain EGI 6500337T shared the highest similarities to those of Aurantimonas coralicida DSM 14790T (97.15 %) and Aurantimonas manganoxydans DSM 21871T (97.15 %). Strain EGI 6500337T contained Q-10 as the dominant isoprenoid quinone. The major cellular fatty acids were C18:1 7c (66.4 %) and C19:0 8c cyclo (23.3 %). The polar lipid profile of strain EGI 6500337T contained diphosphatidylglycerol, phosphatidylglycerol, phosphatidylcholine, phosphatidylethanolamine as major components, similarly to the members of the genus Aurantimonas. The DNA G+C content of strain EGI 6500337T was 66.8 mol%. The DNA-DNA relatedness between strain EGI 6500337T and Aurantimonas coralicida DSM 14790T was 24.7 ± 2.9 %. On the basis of the phylogenetic analysis, chemotaxonomic data and phenotypic characteristics, strain EGI 6500337T represents a novel species of the genus Aurantimonas, for which the name Aurantimonas endophytica sp. nov. is proposed. The type strain is EGI 6500337T (=KCTC 52296T =CPCC 100904T).

A novel endophytic actinobacterium, designated strain EGI 6500139T, was isolated from the surface-sterilized roots of Anabasis aphylla L., collected from Xinjiang, northwest PR China, and subjected to polyphasic taxonomic characterization. Strain EGI 6500139T formed sparse aerial mycelium with rod-like spores. Whole-cell hydrolysates of the isolate contained meso-diaminopimelic acid as the cell-wall diamino acid, glucose as major sugar, and mannose, galactose, xylose and ribose as minor sugars. The polar lipids were phosphatidylglycerol, diphosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside, one unidentified glycolipid, one unidentified phospholipid and four unidentified polar lipids. The major fatty acids identified were anteiso-C17 : 0, anteiso-C15 : 0, iso-C15 : 0 and iso-C16 : 0. The predominant menaquinones detected were MK-11 and MK-11(H2). The G+C content of the genomic DNA of strain EGI 6500139T was 70.4 mol%. Strain EGI 6500139T showed the highest 16S rRNA gene sequence similarity to Glycomyces lacisalsi XHU 5089T (96.3 %). Phylogenetic analysis showed that strain EGI 6500139T fell within the clade of the genus Glycomyces , and formed a clade with G. lacisalsi XHU 5089T and G. albus CCTCC AA 2013004T. Based on phenotypic, chemotaxonomic and phylogenetic data, strain EGI 6500139T represents a novel species of the genus Glycomyces , for which the name Glycomyces anabasis sp. nov. (type strain EGI 6500139T=JCM 30088T=KCTC 29495T) is proposed.

Isoflavone compounds are potent inhibitors against mitochondrial aldehyde dehydrogenase (ALDH2) for the treatment of alcoholism and drug addiction, and an in-depth understanding of the underlying structural basis helps design new inhibitors for enhanced binding. Here, we investigated the binding poses and strengths of eight isoflavone analogues (including CVT-10216 and daidzin) with ALDH2 via computational methods of molecular docking, molecular dynamics (MD) simulation, molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), steered MD, and umbrella sampling. Neither the Vina scoring of docked and MD-sampled complexes nor the nonbonded protein-inhibitor interaction energy from MD simulations is able to reproduce the relative binding strength of the inhibitors compared to experimental IC₅₀ values. Considering the solvation contribution, MM-PBSA and relatively expensive umbrella sampling yield good performance for the relative binding (free) energies. The isoflavone skeleton prefers to form π-π stacking, π-sulfur, and π-alkyl interactions with planar (Phe and Trp) or sulfur-containing (Cys and Met) residues. The enhanced inhibition of CVT-10216 originates from both end groups of the isoflavone skeleton offering strong van der Waals contacts and from the methylsulfonamide group at the 4' position by hydrogen bonding (HB) with neighboring receptor residues. These results indicate that the hydrophobic binding tunnel of ALDH2 is larger than the isoflavone skeleton in length and thus an extended hydrophobic core is likely a premise for potent inhibitors.