Kinetics and Catalysis - The results of studies in the field of synthesis and characterization of layered double hydroxides (LDHs) obtained using solid-phase reactions are summarized. The effect of... 相似文献
The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present study is mainly intended to identify the bioactive phytocompounds from traditional antiviral herb Houttuynia cordata Thunb. as potential inhibitors for three main replication proteins of SARS-CoV-2, namely Main protease (Mpro), Papain-Like protease (PLpro) and ADP ribose phosphatase (ADRP) which control the replication process. A total of 177 phytocompounds were characterized from H. cordata using GC–MS/LC–MS and they were docked against three SARS-CoV-2 proteins (receptors), namely Mpro, PLpro and ADRP using Epic, LigPrep and Glide module of Schrödinger suite 2020-3. During docking studies, phytocompounds (ligand) 6-Hydroxyondansetron (A104) have demonstrated strong binding affinity toward receptors Mpro (PDB ID 6LU7) and PLpro (PDB ID 7JRN) with G-score of???7.274 and???5.672, respectively, while Quercitrin (A166) also showed strong binding affinity toward ADRP (PDB ID 6W02) with G-score -6.788. Molecular Dynamics Simulation (MDS) performed using Desmond module of Schrödinger suite 2020–3 has demonstrated better stability in the ligand–receptor complexes A104-6LU7 and A166-6W02 within 100 ns than the A104-7JRN complex. The ADME-Tox study performed using SwissADMEserver for pharmacokinetics of the selected phytocompounds 6-Hydroxyondansetron (A104) and Quercitrin (A166) demonstrated that 6-Hydroxyondansetron passes all the required drug discovery rules which can potentially inhibit Mpro and PLpro of SARS-CoV-2 without causing toxicity while Quercitrin demonstrated less drug-like properties but also demonstrated as potential inhibitor for ADRP. Present findings confer opportunities for 6-Hydroxyondansetron and Quercitrin to be developed as new therapeutic drug against COVID-19.
Journal of Structural Chemistry - A new polymorph of the [ReCl3(MeCN)(PPh3)2] complex is synthesized and characterized by single crystal X-ray diffraction (XRD). Its recrystallization from the... 相似文献
Russian Journal of General Chemistry - In the current study, some new quinoxaline linked 1,3,4-oxadiazole sulfonamide hybrids have been designed, synthesized and characterized by IR, 1H and 13C... 相似文献
Russian Journal of Applied Chemistry - A method for the disposal of hydrolysis lignin waste based on its modification with ZnCl2 and FeCl3 and subsequent carbonization at 800°C was proposed.... 相似文献
Journal of Applied Spectroscopy - Three simple, sensitive, precise, and rapid spectrophotometric methods are developed and optimized for the assay of vardenafil in pharmaceutical formulations. The... 相似文献
A kinetic study of the effect of thermoheliox (inhalation of a helium and oxygen mixture, 70 °C) on the functional hemodynamics of the human brain by functional magnetic resonance imaging was carried out. The dynamic responses of the BOLD signal were found to be biphasic. An empirical equation describing the first phase of the hemodynamic response to visual stimulus was proposed. It was shown that preliminary inhalation of thermoheliox stimulates the hemodynamic responses by slowing down the vasoconstriction.
Russian Journal of Organic Chemistry - A highly efficient green protocol has been proposed for the synthesis of symmetrical S-aryl arenesulfonothioates by irradiation of N-hydroxy arenesulfonamides... 相似文献
Mathematical Physics, Analysis and Geometry - In this paper, we develop the dressing method to study the modified Camassa-Holm equation with the help of reciprocal transformation and the associated... 相似文献
Optics and Spectroscopy - The current–voltage characteristics and photocurrent of “monolithic” diode optical pairs optically coupled by a substrate made of InAs common for them... 相似文献