Исследование канальных блокаторов NMDA рецептора в ряду конъюгатов метиленового синего с использованием QSAR и молекулярного моделирования

29 conjugates of methylene blue and four chemical structures, including derivatives of carbazole, tetrahydrocarbazole, substituted indoles and γ-carboline, combined with a 1-oxopropylene spacer have been studied as channel blockers of the NMDA receptor (binding site of MK-801) by using four QSAR methods (multiple linear regression, random forest, support vector machine, Gaussian process) and molecular docking. QSAR models have satisfactory characteristics. The analysis of regression models at the statistical level revealed an important role of the hydrogen bond in the complex formation. This was also confirmed by the study of modeled by docking complexes. It was found that the increase in the inhibitory activity of the part of compounds could be attributed to appearance of additional H bonds between the ligands and the receptor.С использованием 4-х методов QSAR (множественная линейная регрессия, случайный лес, метод опорных векторов, гауссовский процесс) и молекулярного докинга исследованы в качестве блокаторов NMDA рецептора (сайт связывания МК-801) 29 конъюгатов метиленового синего и четырех типов соединений, включая производные карбазола, тетрагидрокарбазола, замещенных индолов и γ-карболина, объединенных 1-оксопропиленовым спейсером. Полученные QSAR модели имеют удовлетворительные характеристики. На основе анализа регрессионных моделей на статистическом уровне выявлена важная роль водородной связи при формировании комплекса. Это нашло подтверждение при исследовании моделей комплексов, полученных молекулярным докингом. Установлено, что увеличение ингибирующей способности части исследуемых соединений обусловлено появлением дополнительных Н-связей между лигандами и рецептором

New Permian and Triassic Scytinopteridae (Homoptera: Cicadomorpha) with elytrized tegmina, with notes on the origin of true bugs (Heteroptera)

New Scytinopteridae with elytrized tegmina are described: Ooscyta chertoprudi gen. et sp. n. from the Late Permian of Karaungir, East Kazakhstan and Synelytra tverdokhlebovorum gen. et sp. n. from the Early Triassic of Petropavlovka, Southern Cis-Urals, European Russia. Te fossil insect assemblages of Karaungir and Petropavlovka are briefy characterized. In the Late Olenekian of Petropavlovka, the earliest Ipsviciidae and Curvicubitidae are recorded, as well as the genera and possibly species characteristic of Madygen, which indicates that the Middle Triassic entomofauna began to form towards the end of the Early Triassic. Te evidence supporting the origin of true bugs from scytinopteroids is briefy discussed

Figs 1–7 in The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber

Figs 1–7. Dorytocus ornithorhynchus sp. n., holotype instar V nymph: 1 – dorsal view; 2Published as part of Emeljanov, A.F. & Shcherbakov, D.E., 2018, The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber, pp. 1-14 in Far Eastern Entomologist 354 on page 4, DOI: 10.25221/fee.354.1, http://zenodo.org/record/716402

The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber

Emeljanov, A.F., Shcherbakov, D.E. (2018): The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber. Far Eastern Entomologist 354: 1-14, DOI: 10.25221/fee.354.1, URL: http://dx.doi.org/10.25221/fee.354.

Figs 8–12 in The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber

Figs 8–12. Dorytocus ornithorhynchus sp. n., paratype instar III nymph: 8 – dorsal view;Published as part of Emeljanov, A.F. & Shcherbakov, D.E., 2018, The longest-nosed Mesozoic Fulgoroidea (Homoptera): a new family from mid-Cretaceous Burmese amber, pp. 1-14 in Far Eastern Entomologist 354 on page 5, DOI: 10.25221/fee.354.1, http://zenodo.org/record/716402

A probable oligochaete from an Early Triassic Lagerstatte of the southern Cis-Urals and its evolutionary implications

Oligochaetes, despite their important role in terrestrial ecosystems and a tremendous biomass, are extremely rare fossils. The palaeontological record of these worms is restricted to some cocoons, presumable trace fossils and a few body fossils the most convincing of which are discovered in Mesozoic and Cenozoic strata. The Olenekian (Lower Triassic) siliciclastic lacustrine Petropavlovka Lagerstätte of the southern Cis-Urals yields a number of extraordinary freshwater fossils including an annelid. The segmented body with a secondary annulation of this fossil, a subtriangular prostomium, a relatively thick layered body wall and, possibly, the presence of a genital region point to its oligochaete affinities. Other fossil worms which have been ascribed to clitellates are reviewed and, with a tentative exception of two Pennsylvanian finds, affinities of any pre-Mesozoic forms to clitellate annelids are rejected. The new fossil worm allows tracing of a persuasive oligochaete record to the lowermost Mesozoic and confirms a plausibility of the origin of this annelid group in freshwater conditions