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AUTODOCK GmbH autodock analysis vina
Autodock Analysis Vina, 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+analysis/pm39895262-164-9-12
Average 90 stars, based on 1 article reviews
autodock analysis vina - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Binding Assay:

Article Title: In vitro antioxidant, anticancer and in silico studies of polyphenol enriched leaf extract of Asystasia gangetica
Article Snippet: .. Autodock analysis of Luteolin, Apigenin, Caffeic acid, Cinnamic acid, Protocatechuic, Catechin, Ferulic acid, and Gentisic acid exhibited several interactions with amino acid residues in the active pocket, with the highest binding affinity scores of −8.5, −8.4,−5.9, −5.8, −5.3, −7.5, −6.1, and −5.1 kcal/mol, respectively, at the best mode of RMSD values against TNIK. ..

Article Title: Bioactive metabolites of licorice and thyme as potential inhibitors of Cox1 enzyme of phytopathogens of Capsicum annuum L.: In-silico approaches.
Article Snippet: Cytochrome c oxidase subunit 1 (Cox1), a key enzyme, has a crucial role in cellular respiration in eukaryotes and prokaryotes.. Generally, respiratory inhibitors are considered one of the types of chemical pesticides.. Thyme oil and licorice aqueous extract have been reported to have antifungal activities against fungal phytopathogens of Capsicum annuum L., i.e., Colletotrichum capsici, Fusarium oxysporum, and Pythium aphanidermatum.

Article Title: An in silico evaluation of lorlatinib as a potential therapy for novel amino acid substitutions in the tyrosine kinase domain of the ALK protein associated with cancer
Article Snippet: .. Surprisingly, all 53 ALK variants also exhibited strong binding energy, ranging from −9.4 kcal/mol (P1355L) to −10.8 kcal/mol (A1252V) (AutoDock Vina analysis), indicating that lorlatinib maintains a high affinity for these mutations. ..

Article Title: Genistein alleviates rheumatoid arthritis by inhibiting fibroblast-like synovial exosome secretion regulated by the Rab27/nSMase2/Mfge8 pathway.
Article Snippet: .. GEN interacted with Mfge8, nSMase2 and Rab27a by molecular docking in silico AutoDock analysis Vina revealed that the binding affinity of GEN to three exosome formation-related proteins (Rab27a, nSMase2 and Mfge8) was below 0.0 kcal mol−1. ..

Article Title: Total Synthesis of (-)- and (+)-Talaroenamine B and Diphenylene Derivatives.
Article Snippet: The first total synthesis of (±)-talaroenamine B was achieved through a concise four-step procedure.. The key feature of this synthetic strategy lies in a one-pot reaction involving I (III)mediated oxidative dearomatization to construct a racemic cyclohexanedione unit, followed by imination using a chiral auxiliary to afford a separable mixture of diastereoisomers.. A further acidcatalyzed substitution reaction of aniline with the diastereoisomers led to the natural product (−)-talaroenamine B and its enantiomer (+)-talaroenamine B. Additionally, virtual screening was utilized to expand the chemo-diversity of talaroenamines, and (±)-talaroenamine B diphenylene derivatives 6−11 were obtained by replacing aniline with selected aniline derivatives in the final step of synthesis.

Drug discovery:

Article Title: Behenic Acid as a multi-target inhibiting antibacterial phytochemical against Vibrio parahaemolyticus and Aeromonas hydrophila for effective management of aquaculture infections: an in-silico, in-vitro & in-vivo experimentation.
Article Snippet: Multi-Target Inhibitors are the upcoming frontrunners of the antibiotic world as they provide significant advantage over drug resistance development.. Antibacterial drug discovery research, requires more robust and innovative approaches such as multi-target inhibiting drugs, which over comes the innate hurdles in the field of antibiotics.. In this current study, a curated set of 5,112 phytochemical molecules were virtually screened for its multi-target inhibition potential against 7 antibacterial protein drug-targets.

other:

Article Title: An In Vitro and In Silico Characterization of Salvia sclarea L. Methanolic Extracts as Spasmolytic Agents.
Article Snippet: The molecular interactions of docked complex ligand– target protein were determined using the AutoDock Vina analysis and visualized with the BIOVIA Discovery Studio Visualizer.

Selection:

Article Title: Polymerized cyclodextrin microparticles for sustained antibiotic delivery in lung infections.
Article Snippet: .. Integrating each experiment and type of antibiotic pCD-α < pCD-β < pCD-γ were identified as the optimal selection for both piperacillin and tazobactam based upon the AutoDock Vina analysis. ..

In Silico:

Article Title: Genistein alleviates rheumatoid arthritis by inhibiting fibroblast-like synovial exosome secretion regulated by the Rab27/nSMase2/Mfge8 pathway.
Article Snippet: .. GEN interacted with Mfge8, nSMase2 and Rab27a by molecular docking in silico AutoDock analysis Vina revealed that the binding affinity of GEN to three exosome formation-related proteins (Rab27a, nSMase2 and Mfge8) was below 0.0 kcal mol−1. ..



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