Yam Code

New Paste Browse

https://www.selleckchem.com/products/omaveloxolone-rta-408.html In March 2020, the World Health Organization (WHO) declared coronavirus disease-19 (COVID-19), caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a pandemic. Since then, the search for a vaccine or drug for COVID-19 treatment has started worldwide. In this regard, a fast approach is the repurposing of drugs, primarily antiviral drugs. Herein, we performed a virtual screening using 22 antiviral drugs retrieved from the DrugBank repository, azithromycin (antibiotic), ivermectin (antinematode), and seven non-structural proteins (Nsps) of SARS-CoV-2, which are considered important targets for drugs, via molecular docking and molecular dynamics simulations. Drug-receptor binding energy was employed as the main descriptor. Based on the results, paritaprevir was predicted as a promising multi-target drug that favorably bound to all tested Nsps, mainly adipose differentiation-related protein (ADRP) (-36.2 kcal mol-1) and coronavirus main proteinase (Mpro) (-32.2 kcal mol-1). Moreover, the results suggest that simeprevir is a strong inhibitor of Mpro (-37.2 kcal mol-1), which is an interesting finding because Mpro plays an important role in viral replication. In addition to drug-receptor affinity, hot spot residues were characterized to facilitate the design of new drug derivatives with improved biological responses.A new dihydrochalcone, 2',4'-dimethoxydihydrochalcone (1), together with 7 known compounds, 2',4'-dihydroxydihydrochalcone (2), 2'-hydroxy-4'-methoxydihydrochalcone (3), 2'-hydroxy-4'-methoxychalcone (4), 1-(3,5-dihydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl) ethane (5), 2,3,4,7-tetramethoxy-9,10-dihydrophenanthrene (6), 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene (7) and 5,7-dihydroxy-6,8-dimethyl flavanone (8) were isolated from the shoots of Empetrum nigrum L. The structures of these compounds were elucidated using 1D and 2D NMR experiments along with HR-ESI-MS. Com

Paste Settings

Paste Title : [Optional]

Paste Folder : [Optional]

Syntax Highlighting : [Optional]

Paste Expiration : [Optional]

Paste Status : [Optional]

Password : [Optional]

Description: [Optional]

Tags: [Optional]

Encrypt Paste (?)

You are currently not logged in, this means you can not edit or delete anything you paste. Sign Up or Login

Paste Settings

Site Languages