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Accelrys ds 2020 cdocker module
Ds 2020 Cdocker Module, 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/ds+cdocker/2020+biovia+discovery+studio/pm41927865-299-7-6
Average 86 stars, based on 1 article reviews
ds 2020 cdocker module - by Bioz Stars, 2026-10
86/100 stars

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Article Title: Vodobatinib overcomes cancer multidrug resistance by attenuating the drug efflux function of ABCB1 and ABCG2.
Article Snippet: Multidrug resistance (MDR) remains a significant obstacle in cancer treatment, primarily attributable to the overexpression of ATP-binding cassette (ABC) transporters such as ABCB1 and ABCG2 within cancer cells.. These transporters actively diminish the effectiveness of cytotoxic drugs by facilitating ATP hydrolysis-dependent drug efflux, thereby reducing intracellular drug accumulation.. Given the absence of approved treatments for multidrug-resistant cancers and the established benefits of combining tyrosine kinase inhibitors (TKIs) with conventional anticancer drugs, we investigate the potential of vodobatinib, a potent c-Abl TKI presently in clinical trials, to restore sensitivity to chemotherapeutic agents in multidrug-resistant cancer cells overexpressing ABCB1 and ABCG2.

Article Title: Identification of small molecule inhibitors for the Brachyspira pilosicoli glutamate racemase (Bp-MurI) enzyme using a computational and experimental approach.
Article Snippet: Molecular docking was performed using the Biovia DS 2020 CDOCKER module, and compounds exhibiting the highest docking scores, considering both CDOCKER energy and fit value, were shortlisted.

Article Title: Synthesis, characterization, antiproliferative, antibacterial activity, RDG, ELF, LOL Molecular docking and physico chemical properties of novel benzodiazepine derivatives
Article Snippet: Four new benzodiazepine derivatives of 2-(2-(ethyl(methyl)amino)benzo [b][1,4]thiazepin-4-yl)phenol (EMBT), (2-(4-ethylbenzo[b][1,4]thiazepin-2-yl)phenol (EBT), 2-(7-chloro-2-(ethyl(methyl)amino)benzo[b][1,4]thiazepin-4-yl)phenol (CEMBT) and 2-(7-chloro-4-ethylbenzo[b][1,4]thiazepin-2-yl)phenol) (CEBT) has been synthesized.. The synthesized compounds were characterized by NMR, FT-IR, UV–Vis and ESI-mass spectrometric techniques.. The synthesized compounds were evaluated the cytotoxic assay in vitro antiproliferative activity against MCF-7 and HepG2 cancer cells.

Binding Assay:

Article Title: New Hydrogenated Phenanthrene Glycosides from the Edible Vegetable Elatostema tenuicaudatum W.T.Wang with DPP-IV Inhibitory and Hepatoprotective Activity
Article Snippet: .. To investigate the binding affinity between DPP-IV and compounds, we utilized the CDOCKER Receptor-Ligand Interactions protocol in Discovery Studio software (DS 2021, Accelrys Software Inc., USA). ..

Article Title: Chemosensory Proteins Protect Nilaparvata lugens from Imidacloprid by Sequestering the Insecticide and Facilitating Metabolic Detoxification.
Article Snippet: The involvement of chemosensory proteins (CSPs) in binding to insecticides has been implicated.. However, our understanding of CSP-mediated insecticide resistance remains limited.. Herein, 15 CSP genes were identified and characterized from Nilaparvata lugens.

Article Title: Isolation of phytochemicals and exploration the mechanism of Dolichandrone spathacea in the treatment of chronic bronchitis by integrating network pharmacology, molecular docking, and experimental validation
Article Snippet: .. To delve into the binding affinity of the compounds with receptors, the CDOCKER Receptor-Ligand Interactions protocol within Discovery Studio software (DS 2021, Accelrys Software Inc., USA) was employed. ..

Software:

Article Title: New Hydrogenated Phenanthrene Glycosides from the Edible Vegetable Elatostema tenuicaudatum W.T.Wang with DPP-IV Inhibitory and Hepatoprotective Activity
Article Snippet: .. To investigate the binding affinity between DPP-IV and compounds, we utilized the CDOCKER Receptor-Ligand Interactions protocol in Discovery Studio software (DS 2021, Accelrys Software Inc., USA). ..

Article Title: Oyster Peptide-Ferrous Chelate Preparation Optimization Structural Characteristics and Enhanced Bioavailability.
Article Snippet: .. Molecular docking was performed using the CDOCKER protocol within the Discovery Studio 2019 Client software (DS 2019 Client, Biovia, San Diego, CA, USA), with Fe2+ defined as the small-molecule ligand and the peptides from the library as receptors. ..

Article Title: Isolation of phytochemicals and exploration the mechanism of Dolichandrone spathacea in the treatment of chronic bronchitis by integrating network pharmacology, molecular docking, and experimental validation
Article Snippet: .. To delve into the binding affinity of the compounds with receptors, the CDOCKER Receptor-Ligand Interactions protocol within Discovery Studio software (DS 2021, Accelrys Software Inc., USA) was employed. ..

Article Title: Oyster Peptide-Ferrous Chelate Preparation Optimization Structural Characteristics and Enhanced Bioavailability
Article Snippet: .. Molecular docking was performed using the CDOCKER protocol within the Discovery Studio 2019 Client software (DS 2019 Client, Biovia, San Diego, CA, USA), with Fe 2+ defined as the small-molecule ligand and the peptides from the library as receptors. ..



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