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381
STRATEGI PENGEMBANGAN PARIWISATA DI SEPANJANG SUNGAI KAPUAS KOTA PONTIANAK
Published 2021-10-01“…Analysis of supply and demand analysis is a matrix of strategic data to internal factors (IFAS) and external factors (EFAS) program as well as some recommendations for the development of Tourism for the City of Pontianak, the government participate in activities as their main duty to participate in the promotion of destinations, development of basic infrastructure in tourist objects are not managed by the private sector as a simple dock, toilets, mosque and construction of the entertainment / arts performances place. …”
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382
Les installations portuaires romaines d’Irun/Oiasso (Pays basque, Espagne) : entre équipement fonctionnel et façade urbaine
Published 2020-12-01“…To date, information has been obtained on three harbor areas and a half a dozen other facilities, and allows for differentiation between dry docks, breakwater jetties, slipway jetties and small platforms. …”
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383
Virtual Screening for Potential Inhibitors of NS3 Protein of Zika Virus
Published 2016-09-01“…In this study, we performed molecular docking analysis of these drugs against nonstructural 3 (NS3) protein of ZIKV. …”
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384
Synthesis of Novel VO(II)-Perimidine Complexes: Spectral, Computational, and Antitumor Studies
Published 2018-01-01“…QSAR parameters were also obtained to give another side of view about the biological approach with the priority of the L3 ligand. Applying AutoDockTools 4.2 program over all perimidine derivatives introduces efficiency against 4c3p protein of breast cancer. …”
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385
Variability of daily feed intake as an indicator of resilience in Pietrain pigs
Published 2025-02-01“…Overlapping genomic regions were found for RIs and feed conversion ratio, highlighting DOCK1, SYK and SPTLC1 genes for their potential roles in modulating immune responses and/or metabolism. …”
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386
Phytocompounds from Indonesia Medicinal Herbs as Potential Apelin Receptor Agonist for Heart Failure Therapy: An In-silico Approach
Published 2025-01-01“…Active metabolites were sourced from the Knapsack Database. Molecular docking using Molegro Virtual Docker assessed binding energy, with more negative MolDockScores indicating stronger interactions. …”
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387
Characterisation of EfbA from the Endodontic Pathogen Enterococcus faecalis and Prediction of Immunodominant EfbA Epitope Peptides: An In-vitro and In-silico Study
Published 2025-01-01“…The prediction of T-cell epitopes was carried out with the help of the EpiDOCK server, and B-cell predictions were made using the Kolaskar and Tongaonkar tool. …”
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388
Apoptosis in the liver of male <em>db/db</em> mice during the development of obesity and type 2 diabetes
Published 2020-07-01“…Homozygous males of BKS.Cg-Dock7mLeprdb/+/+/J mice (db/db mice) are characterized by progressive obesity and the development of type 2 diabetes mellitus (DM2) with severe hyperglycemia at 4–8 weeks and organ lesions at 8–10 weeks of age. …”
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389
Bergapten alleviates senescence of chondrocytes in osteoarthritis
Published 2025-02-01“…The obtained targets were intersected with Venny2.1.0, protein-protein interaction (PPI) analysis was performed using the STRING database, and molecular docking was conducted by AutoDock Vina. Subsequently, human chondrocyte C28/I2 cells were subjected in the following validation experiments. …”
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390
Aspek biologi reproduksi ikan pari blentik Neotrygon kuhlii di perairan Selat Sunda
Published 2016-12-01“…The reproduction characteristic covered the size of first gonad maturity, the level and also index of gonad maturity of bluespotted stingray fish in Labuan Fishing Dock, Banten. The result showed the equilibrium of length-weight of female fish was about W=0.0007L2,1496. …”
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391
Integrated analysis of bioinformatics, mendelian randomization, and experimental validation reveals novel diagnostic and therapeutic targets for osteoarthritis: progesterone as a p...
Published 2025-01-01“…Screening with the Drug Signatures Database (DSigDB) identified progesterone as a small-molecule drug targeting these key proteins. Molecular docking analysis using AutoDock Vina revealed that progesterone exhibited binding energies of ≤ -7 kcal/mol with each of the key proteins, indicating strong binding affinity. …”
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392
Bis(7)-harmine derivatives as potential multi-target anti-Alzheimer agents
Published 2025-01-01“…The cytotoxicity was evaluated using the MTT assay. The Surflex-Dock program in Sybyl-X2.0 Software was employed for molecular docking.ResultsIn vitro studies revealed that numerous synthesized compounds exhibited potent inhibitory activity against hAChE, and hMAO-B (IC50 < 1 μM), as well as Aβ1−42 aggregation (IC50 < 20 μM). …”
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393
Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach
Published 2025-02-01“…Methods: The in silico molecular docking of the compounds were performed using AutoDock Vina 1.2.0. …”
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394
In Silico Analysis on the Interaction of Haloacid Dehalogenase from Bacillus cereus IndB1 with 2-Chloroalkanoic Acid Substrates
Published 2022-01-01“…The docking simulation also indicated that the docking energy differences of two enantiomers of 2-chloroalkanoic acids substrates were not significant. …”
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395
Tetrahydroxy Cyclic Urea-Potent Inhibitor for HIV-1 Protease Wild Type and Mutant Type—A Computational Design
Published 2008-01-01“…The biological activity of these inhibitors were predicted by a model equation generated by the regression analysis between biological activity (log 1/Ki) of known inhibitors and there combined docking scores from six of the wild type protein docking. …”
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396
Τhiazolidine-4-One Derivatives with Variable Modes of Inhibitory Action Against DPP4, a Drug Target with Multiple Activities and Established Role in Diabetes Mellitus Type II
Published 2025-01-01“…Inhibition modes of uncompetitive, non-competitive, and mixed type were also identified. Docking analysis was in accordance with the in vitro results, with a linear correlation of logIC<sub>50</sub> with a Probability of Binding Factor(PF) derived using docking analysis to a specific target box and to the whole enzyme. …”
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397
Exploring the Infectious Drug Target Glutathione S-Transferase in Plasmodium falciparum with the Inhibitory Potential of Azadirachta indica Phytocompounds
Published 2024-01-01“…Results are confirmed by the possible re-docking poses by the docking method, and the binding score is used for the evaluations. …”
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398
Senyawa Fucodiphlorethol Dan Phloroglucinol Alga Coklat Sebagai Inhibitor Lipase Secara In Silico
Published 2022-05-01“…Lipase structure (PDB ID 1ETH) was obtained from protein data bank and docked with fucodiphlorethol and phloroglucinol in specific position. …”
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399
Recognition mechanism and sequence optimization of organophosphorus pesticides aptamers for better monitoring contaminations in food
Published 2023-09-01“…The interaction between this new aptamer and OPPs were analyzed by molecular docking, microscale thermophoresis, circular dichroism and fluorometric analysis. …”
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400
Pyoverdine, the Major Siderophore in Pseudomonas aeruginosa, Evades NGAL Recognition
Published 2012-01-01“…We then employed a molecular modeling approach to simulate the binding of pyoverdine to human NGAL using NGAL’s published crystal structures. The docking of pyoverdine to NGAL predicted nine different docking positions; however, neither apo- nor ferric forms of pyoverdine docked into the ligand-binding site in the calyx of NGAL where siderophores are known to bind. …”
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