docking simulation analyses autodock 3.05 (AUTODOCK GmbH)
90
Structured Review
AUTODOCK GmbH
docking simulation analyses autodock 3.05
Docking Simulation Analyses Autodock 3.05, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/docking+simulation+analyses/autodock+vina/pmc02885673-84-6-13
Average 90 stars, based on 1 article reviews
Docking Simulation Analyses Autodock 3.05, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/docking+simulation+analyses/autodock+vina/pmc02885673-84-6-13
Average 90 stars, based on 1 article reviews
docking simulation analyses autodock 3.05 - by Bioz Stars,
2026-10
90/100 stars
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Binding Assay:Article Title: An Arylbenzofuran, Stilbene Dimers, and Prenylated Diels-Alder Adducts as Potent Diabetic Inhibitors from Morus bombycis Leaves. Article Snippet: .. Docking Interaction between Compounds and Key Binding Ligands of Article Title: Network pharmacology and metabolomics elucidate the underlying effects and mechanisms of maackiain against endometrial cancer. Article Snippet: 20 Endometrial carcinoma (EC), a prevalent gynecological cancer, is characterized by 21 rising incidence and mortality rates, highlighting the need for novel treatments to 22 improve patient outcomes.. Maackiain (MA) is a natural compound isolated from 23 common herbal medicines, that has been reported to have MA's anti-cancer effects.. 24 However, the underlying roles and mechanisms concerning EC remain unclear. Article Title: LN-439A, a novel BAP1 inhibitor, suppresses the growth of basal-like breast cancer by degrading KLF5. Article Snippet: Basal-like breast cancer (BLBC) is the most malignant subtype of breast cancer because of its aggressive clinical behaviour and lack of effective targeted agents.. Krüppel-like factor 5 (KLF5) is an oncogenic transcription factor that is highly expressed in BLBC.. The deubiquitinase (DUB) BRCA1-associated protein 1 (BAP1) stabilizes KLF5 and promotes BLBC growth and metastasis. Software:Article Title: Homotherapy for heteropathy active components and mechanisms of Qiang-Huo-Sheng-Shi decoction for treatment of rheumatoid arthritis and osteoarthritis. Article Snippet: Qiang-Huo-Sheng-Shi decoction (QHSSD), a classic traditional Chinese herbal formula, which has been reported to be effective in rheumatoid arthritis (RA) and osteoarthritis (OA).. However, the concurrent targeting mechanism of how the aforementioned formula is valid in the two distinct diseases OA and RA, which represents the homotherapy-for-heteropathy principle in traditional Chinese medicine (TCM), have not yet been clarified.. In the present study, network pharmacology was adopted to analyze the potential molecular mechanism, and therapeutic effective components of QHSSD on both OA and RA. Inhibition:Article Title: LN-439A, a novel BAP1 inhibitor, suppresses the growth of basal-like breast cancer by degrading KLF5. Article Snippet: Basal-like breast cancer (BLBC) is the most malignant subtype of breast cancer because of its aggressive clinical behaviour and lack of effective targeted agents.. Krüppel-like factor 5 (KLF5) is an oncogenic transcription factor that is highly expressed in BLBC.. The deubiquitinase (DUB) BRCA1-associated protein 1 (BAP1) stabilizes KLF5 and promotes BLBC growth and metastasis. other:Article Title: In silico approach to identify the potential targets of Alexidine dihydrochloride and Hexachlorophene in human fungal pathogen C. glabrata Article Snippet: Article Title: Polystyrene Microplastics Exacerbate Systemic Inflammation in High-Fat Diet-Induced Obesity. Article Snippet: Article Title: Simultaneous ultrasound- and microwave-assisted one-pot 'click' synthesis of 3-formyl-indole clubbed 1,2,3-triazole derivatives and their biological evaluation. Article Snippet: An environment friendly, high yielding, promising one-pot protocol for the click reaction of N-propargyl-3-formylindole 2(a–b), chloroacetic acid/ester 3(a–b) and sodium azide, leading to the formation of 3-formyl-indole clubbed 1,4-disubstituted-1,2,3-triazole derivatives 4(a–b), 5(a–b) and 6(a–f) aided by CuI catalyst accomplished under acceleration of simultaneous ultrasound and microwave irradiation in a very short reaction time has been described.. Further, acid derivative 4(a–b) is subjected to acid–amine coupling reaction with secondary amine (p–t) in the presence of HATU to afford 6(p–t) and 7(p–t).. The perspective of this protocol is to get rid of the hectic preparation and handling of organic azide which are generated in situ. Article Title: Synthesis of novel indole-oxindole clubbed 1,2,3-triazole hybrids: antimicrobial evaluation and molecular docking study Article Snippet: A new series of indole-oxindole clubbed 1,2,3-triazole hybrids 5(a–o) was thoughtfully designed and synthesized via Cu-catalysed azide-alkyne cycloaddition (CuAAC) click reaction while taking into account the varied medicinal activities of indole, oxindole, and 1,2,3-triazole derivatives.. By employing the broth micro dilution method, the antimicrobial potential of each synthesized hybrid molecule was examined against three gram-negative (Escherichia coli, Pseudomonas aeruginosa, and Klebsiella pneumonia), three gram-positive (Bacillus subtilis, Staphylococcus aureus, and Streptococcus pyogenes), and two fungal strains (Candida albicans and Aspergillus niger).. Compound 5e was shown to be the best antibacterial agent with a minimum inhibitory concentration (MIC) of 25 μg/mL against Escherichia coli among all the synthetics. |