A community effort in SARS-CoV-2 drug discovery.

peer reviewedThe COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and middle-income countries, is an ongoing challenge. In this work, we report the results of an open science community effort, the "Billion molecules against Covid-19 challenge", to identify small-molecule inhibitors against SARS-CoV-2 or relevant human receptors. Participating teams used a wide variety of computational methods to screen a minimum of 1 billion virtual molecules against 6 protein targets. Overall, 31 teams participated, and they suggested a total of 639,024 molecules, which were subsequently ranked to find 'consensus compounds'. The organizing team coordinated with various contract research organizations (CROs) and collaborating institutions to synthesize and test 878 compounds for biological activity against proteases (Nsp5, Nsp3, TMPRSS2), nucleocapsid N, RdRP (only the Nsp12 domain), and (alpha) spike protein S. Overall, 27 compounds with weak inhibition/binding were experimentally identified by binding-, cleavage-, and/or viral suppression assays and are presented here. Open science approaches such as the one presented here contribute to the knowledge base of future drug discovery efforts in finding better SARS-CoV-2 treatments.R-AGR-3826 - COVID19-14715687-CovScreen (01/06/2020 - 31/01/2021) - GLAAB Enric

Rock Pressure Manifestation in Development Workings Advanced in a Thick Coal Seam

A research of rock pressure manifestations in the seam workings of seam 52 in “V. D. Yalevsky” mine is presented. It is shown that the inspected development workings advanced in a thick seam have a number of peculiarities determining the urgency of their stability research. It is noted that the researches are carried out in the workings subjected to coal extraction influence, as well as in the workings not subjected to that influence. A brief description of the research method including a visual examination of the mine workings and their support elements, instrumental studies of the border rock massif and the theoretical justification of the parameters of rock pressure are given. The following patterns: rock pressure manifestations mostly in the workings sidewalls, a positive time dynamics of rock pressure manifestations, and the increased intensity of manifestations in the workings roof after coal extracting in the face were recorded. The theoretical justification of rock pressure manifestations and the interpretation of the results of instrumental researches are given

Human resource management practices in a Russian commercial bank in the context of an innovative economy

This article examines the specifics of human resource management in the context of the promotion of an innovative economy. The study of the human resource management practices in Sberbank of Russia is highly relevant due to the challenges and external threats Russia currently faces and must respond to. The findings made following the analysis of the bank’s reports, surveys, and other open-source information indicate Sberbank’s high readiness to respond to the challenges typical of the new strategic context. At the same time, certain elements are identified without which such organizations operating in the conditions of the digital economy will not be able to outdo their competitors in the future. Sberbank has successfully implemented the Development Strategy through the consistent introduction of human resource management practices that correspond to the current trends involving the development of the information society. It is suggested that the range of tools used to establish an innovation-oriented environment be expanded with organizational democracy and agile leadership

The Roof Support Load Analysis for Pre-Driven Recovery Room Parameters Design

Submitted by generalized experience entry longwall into pre- driven recovery room (PDRR) in foreign and Russian mine.Submitted by research characteristic state parameters of the roof at failed entry. Give a classification of roof collapse at the entrance longwall into PDRR.On the example of longwall panel 5а-10-18 mine Raspadskaya reviewed formation process of stress-strain condition in area for PDRR. Has been modeled process of entry longwall into PDRR in the conditions of heavy roof. Determine the expected load on the anchor and standing support, installed in the PDRR. Assessed the load on the longwall shield. When calculating the loads was taken into account the following parameters: width pre-driven recovery room, number of standing support in the PDRR and especially its placement, the rate of entry longwall into PDRR

Correlation Processing Cuboid Infrared Images from Unmanned Aerial Vehicle. Part 2. Processing Method of Infrared Signatures of Reference Objects on the Basis of the Numerical Solution of the Nonlinear Heat Transfer Problems

Представлен вариант построения математической модели теплового поля многослойного изотропного материала, основанный на решении двумерной прямой задачи теплопроводности численным методом с использованием неявных разностных схем с учетом смешанных граничных условий сопряжения и контактного термического сопротивления. Приведены результаты обработки корреляционным алгоритмом динамических инфракрасных сигнатур, полученных в результате суточной тепловизионной съемки «эталонного полигона»A version of a mathematical model of the thermal field of multilayer isotropic material, based on the solution of two-dimensional heat conduction problem of direct numerical method using implicit difference schemes, taking into account the mixed boundary conditions and interface thermal contact resistance. The results of the correlation processing algorithm of dynamic infrared signatures obtained by the daily thermographing “reference zones

Catalytic Efficiency of Basidiomycete Laccases: Redox Potential versus Substrate-Binding Pocket Structure

Laccases are copper-containing oxidases that catalyze a one-electron abstraction from various phenolic and non-phenolic compounds with concomitant reduction of molecular oxygen to water. It is well-known that laccases from various sources have different substrate specificities, but it is not completely clear what exactly provides these differences. The purpose of this work was to study the features of the substrate specificity of four laccases from basidiomycete fungi Trametes hirsuta, Coriolopsis caperata, Antrodiella faginea, and Steccherinum murashkinskyi, which have different redox potentials of the T1 copper center and a different structure of substrate-binding pockets. Enzyme activity toward 20 monophenolic substances and 4 phenolic dyes was measured spectrophotometrically. The kinetic parameters of oxidation of four lignans and lignan-like substrates were determined by monitoring of the oxygen consumption. For the oxidation of the high redox potential (>700 mV) monophenolic substrates and almost all large substrates, such as phenolic dyes and lignans, the redox potential difference between the enzyme and the substrate (ΔE) played the defining role. For the low redox potential monophenolic substrates, ΔE did not directly influence the laccase activity. Also, in the special cases, the structure of the large substrates, such as dyes and lignans, as well as some structural features of the laccases (flexibility of the substrate-binding pocket loops and some amino acid residues in the key positions) affected the resulting catalytic efficiency