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AUTODOCK GmbH open-source program autodock vina in pyrx0.8
Open Source Program Autodock Vina In Pyrx0.8, 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/vina+open-source+program/vina+integrated+pyrx+tool/pm34762019-51-1-3
Average 90 stars, based on 1 article reviews
open-source program autodock vina in pyrx0.8 - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Expression, characterization and cytotoxicity of recombinant l-asparaginase II from Salmonella paratyphi cloned in Escherichia coli.
Article Snippet: L-asparaginase is a remarkable antineoplastic enzyme used in medicine for the treatment of acute lymphoblastic leukemia (ALL) as well as in food industries.. In this work, the L-asparaginase-II gene from Salmonella paratyphi was codon-optimized, cloned, and expressed in E. coli as a His-tag fusion protein.. Then, using a two-step chromatographic procedure it was purified to homogeneity as confirmed by SDS-PAGE, which also showed its monomeric molecular weight to be 37 kDa.

Article Title: Revealing curcumin therapeutic targets on SRC, PPARG, MAPK8 and HSP90 as liver cirrhosis therapy based on comprehensive bioinformatic study.
Article Snippet: Cirrhosis naturally progresses through three stages: compensated, decompensated, and late decompensated, which carry an elevated risk of death.. Although curcumin’s anti-cirrhosis effects have been studied, underlying mechanism in preventing cirrhosis progression and the correlation between curcumin’s action with upregulated genes remains insufficiently explored.. In this study, we employed network pharmacology approach to construct a drug-target-disease network through bioinformatics and validate the findings with molecular docking and dynamic simulation.

Article Title: Design, synthesis, characterization, molecular docking studies and biological evaluation of 5, 6, 7, 8-tetrahydropyrido[3,4-d]pyrimidine derivatives as antimicrobial agents
Article Snippet: New tetrahydropyrido[3,4-d]pyrimidine derivatives (10a-l) have been facilely synthesized through a series of deprotection, N-substitution and Suzuki coupling reactions.. The structure of new compounds was analyzed by interpretations of FTIR, 1HNMR , 13CNMR , and Mass spectral data.. The title compounds were screened for their in vitro antimicrobial activity against four bacterial strains: Staphylococcus aureus and Bacillus subtilis as gram-positive bacteria, and Escherichia coli and Pseudomonas aeruginosa as gram-negative bacteria and two fungal strains, namely Candida albicans and Aspergillus niger.

Article Title: A Docking and Network Pharmacology Study on the Molecular Mechanisms of Curcumin in Dental Caries and Streptococcus mutans
Article Snippet: The AutoDock Vina program in PyRx 0.9.8 software to perform the simulations [ , ].

Article Title: Synthesis and in-silico studies of 4-(5-(2-(4-(5-aryl-1,2,4-thiadiazol-3-yl)phenyl)-1H-imidazol-4-yl)-1,3,4-thiadiazol-2-yl)pyridines
Article Snippet: Autodock Vina integrated PyRx tool was employed for docking simulations [20–24].

Software:

Article Title: Computational Evaluation of Molecular Structure, Vibrational, Electronic Properties and Molecular Docking Studies of 5-(Hydroxymethyl) Pyrimidine
Article Snippet: .. Autodock vina in PyRx version software [23] was wielded for molecular docking. .. Discovery Studio visualizer BIOVIA: Discovery Studio 2021 software [24] was used to analyze the docking interactions, docking parameters, and the bonded residues.

Article Title: Computational Evaluation of Molecular Structure, Vibrational, Electronic Properties and Molecular Docking Studies of 5-(Hydroxymethyl) Pyrimidine
Article Snippet: .. 27, No.3s (October) 2024 S.K.Geetha et al Utilizing Autodock vina in PyRx version 0.8 software and the discovery studio analyzer BIOVIA: Discovery Studio 2021 software, the six proteins 7D5L, 4GNC, 7RW5, 4D8S, 3DR2, and 6V2F were docked with the ligand of the title compound (HMP) and analyzed. ..

Binding Assay:

Article Title: Synthesis of New Chroman-4-one Based 1,2,3-Triazole Analogues as Antioxidant and Anti-Inflammatory Agents.
Article Snippet: A library of new chroman-4-one based 1,2,3-triazole analogues were synthesized involving a series of condensation, cyclization, Suzuki coupling and copper catalysed click chemistry protocols.. The newly synthesized compounds 8a–l were screened for their invitro antioxidant and anti-inflammatory activities by employing Ascorbic acid and Diclofenac as reference drugs respectively.. The compound without any substituent on benzyl ring (8a), compound with -Cl substituent in para position of benzyl ring (8i), and compound with ethoxy substituent in para position of benzyl ring (8k) exhibited potent antioxidant and anti-inflammatory activities with higher percentage of inhibition.



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