3d structure (Accelrys)
86
Structured Review
Accelrys
3d structure
3d Structure, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/3d+structures/3d+structure/pmc13116262-265-1-16
Average 86 stars, based on 1 article reviews
3d Structure, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/3d+structures/3d+structure/pmc13116262-265-1-16
Average 86 stars, based on 1 article reviews
3d structure - by Bioz Stars,
2026-10
86/100 stars
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other:Article Title: Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-purine xanthine oxidase inhibitors. Article Snippet: Gout is a common inflammatory arthritis caused by the deposition of urate crystals within joints.. It is increasingly in prevalence during the past few decades as shown by the epidemiological survey results.. Xanthine oxidase (XO) is a key enzyme to transfer hypoxanthine and xanthine to uric acid, whose overproduction leads to gout. Article Title: Phytochemical Profiling of the Ethanolic Extract of Zaleya pentandra L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking Article Snippet: The 3D structures of the end product were prepared by the Article Title: Evaluation of the effects of chlorhexidine and several flavonoids as antiviral purposes on SARS-CoV-2 main protease: molecular docking, molecular dynamics simulation studies. Article Snippet: The recent outbreak of COVID-19 caused by a new human coronavirus called SARS-CoV-2, is continually causing worldwide human infections and deaths.The main protease (3CLpro), which plays a critical role in the life cycle of the virus, makes it an attractive target for the development of antiviral agents effective against coronaviruses (CoVs).Currently, there is no specific viral protein targeted therapeutics.Therefore, there is a need to investigate an alternative therapy which will prevent the spread of the infection, by focusing on the transmission of the virus.Chlorhexidine (CHX) and flavonoids agents have shown that they have a viral inactivation effect against enveloped viruses, and thus facilitate the struggle against oral transmission.Especially, some flavonoids have very strong antiviral activity in SARS-CoV and MERS-CoV main protease.This study was conducted to evaluate the CHX and flavonoids compounds potential antiviral effects on SARS-CoV-2 main protease through virtual screening for the COVID-19 treatment by molecular docking method.According to the results of this study, CHX, Kaempferol-3-rutinoside, Rutin, Quercetin 3-beta-D-glucoside and Isobavachalcone exhibited the best binding affinity against this enzyme, and also these compounds showed significant inhibitory effects compared to the SARS-CoV-2 main protease crystal structure inhibitor (N3).Especially, these compounds mainly interact with His41, Cys145, His163, Met165, Glu166 and Thr190 in SARS-CoV-2 main protease binding site.. Further, MD simulation analysis also confirmed that stability of these interactions between the enzyme and these five compounds.The current study provides to guide clinical trials for broad-spectrum CHX and bioactive flavonoids to reduce the viral load of the infection and possibly disease progression.. ARTICLE HISTORY Received 11 July 2020 Accepted 1 March 2021 Software:Article Title: Acetamiprid elicits oxidative stress, pro-inflammatory response, and cellular proliferation in human bronchial epithelial cells in vitro and in silico: alleviative implications of the mixture of heat-killed Lactobacillus strains Article Snippet: .. The Purification:Article Title: Skin-care functions of peptides prepared from Chinese quince seed protein: Sequences analysis, tyrosinase inhibition and molecular docking study Article Snippet: The hydrolysis of proteins could produce more bioactive moieties.. To obtain more bioactivities, Chinese quince seed protein was hydrolyzed by papain to produce biological peptides.. After ultrafiltration, gel filtration chromatography, and reversed phase high performance liquid chromatography purifications, two novel peptides were successfully prepared. |