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Theoretical Investigation of Interaction of Sorbitol Molecules with Alcohol Dehydrogenase in Aqueous Solution Using Molecular Dynamics Simulation.
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- Cell Biochemistry & Biophysics, 2011, v. 59, n. 2, p. 79, doi. 10.1007/s12013-010-9116-x
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- Article
The Effect of Information Provision on Reduction of Errors in Intravenous Drug Preparation and Administration by Nurses in ICU and Surgical Wards.
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- Acta Medica Iranica, 2012, v. 50, n. 11, p. 771
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- Article
Imino isatin derivatives; synthesis, in silico molecular dynamic study over monoamine oxidase B, ADME prediction, and in vitro cytotoxicity evaluation.
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- Journal of the Chinese Chemical Society, 2021, v. 68, n. 6, p. 1090, doi. 10.1002/jccs.202000170
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Design and synthesis of 2,4‐dioxochroman‐pyridinium‐phenylacetamide derivatives as new anti‐Alzheimer agents: in vitro and in silico studies.
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- Journal of the Chinese Chemical Society, 2020, v. 67, n. 10, p. 1910, doi. 10.1002/jccs.202000013
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Large-scale virtual screening for the identification of new Helicobacter pylori urease inhibitor scaffolds.
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- Journal of Molecular Modeling, 2012, v. 18, n. 7, p. 2917, doi. 10.1007/s00894-011-1310-2
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- Article
Endo-inulinase Stabilization by Pyridoxal Phosphate Modification: A Kinetics, Thermodynamics, and Simulation Approach.
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- Applied Biochemistry & Biotechnology, 2011, v. 165, n. 7/8, p. 1661, doi. 10.1007/s12010-011-9385-x
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- Article
New phenylthiosemicarbazide‐phenoxy‐1,2,3‐triazole‐N‐phenylacetamides as dual inhibitors against α‐glucosidase and PTP‐1B for the treatment of type 2 diabetes.
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- Archiv der Pharmazie, 2024, v. 357, n. 7, p. 1, doi. 10.1002/ardp.202300517
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- Article
Design, synthesis, and α‐glucosidase‐inhibitory activity of phenoxy‐biscoumarin–N‐phenylacetamide hybrids.
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- Archiv der Pharmazie, 2021, v. 354, n. 12, p. 1, doi. 10.1002/ardp.202100179
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New 1,2,3‐triazole–(thio)barbituric acid hybrids as urease inhibitors: Design, synthesis, in vitro urease inhibition, docking study, and molecular dynamic simulation.
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- Archiv der Pharmazie, 2020, v. 353, n. 9, p. 1, doi. 10.1002/ardp.202000023
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Synthesis, CYP 450 evaluation, and docking simulation of novel 4‐aminopyridine and coumarin derivatives.
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- Archiv der Pharmazie, 2019, v. 352, n. 3, p. N.PAG, doi. 10.1002/ardp.201800247
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- Article
Design, synthesis, and preliminary pharmacological evaluation of novel thiazolidinone derivatives as potential benzodiazepine agonists.
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- Molecular Diversity, 2022, v. 26, n. 2, p. 769, doi. 10.1007/s11030-021-10182-x
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- Article
Design, synthesis, biological evaluation, and molecular modeling studies of pyrazole-benzofuran hybrids as new α-glucosidase inhibitor.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-99899-1
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- Article
Arylmethylene hydrazine derivatives containing 1,3-dimethylbarbituric moiety as novel urease inhibitors.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-90104-x
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- Article
Identification of a New Isoindole-2-yl Scaffold as a Qo and Qi Dual Inhibitor of Cytochrome bc<sub>1</sub> Complex: Virtual Screening, Synthesis, and Biochemical Assay.
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- Interdisciplinary Sciences: Computational Life Sciences, 2018, v. 10, n. 4, p. 781, doi. 10.1007/s12539-017-0241-8
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- Article
Nitrophenylpiperazine derivatives as novel tyrosinase inhibitors: design, synthesis, and in silico evaluations.
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- BMC Chemistry, 2024, v. 18, n. 1, p. 1, doi. 10.1186/s13065-024-01167-6
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Design and synthesis of novel ureido and thioureido conjugated hydrazone derivatives with potent anticancer activity.
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- BMC Chemistry, 2022, v. 16, n. 1, p. 1, doi. 10.1186/s13065-022-00873-3
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- Article
Novel Thiazolotriazolone Derivatives: Design, Synthesis, In Silico Investigation, Analgesic and Anti‐inflammatory Activity.
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- ChemistrySelect, 2022, v. 7, n. 28, p. 1, doi. 10.1002/slct.202103228
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- Article
Pantoprazole Derivatives: Synthesis, Urease Inhibition Assay and In Silico Molecular Modeling Studies.
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- ChemistrySelect, 2020, v. 5, n. 15, p. 4580, doi. 10.1002/slct.202000578
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Docking study, molecular dynamic, synthesis, anti-α-glucosidase assessment, and ADMET prediction of new benzimidazole-Schiff base derivatives.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-18896-0
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- Article
Design and synthesis of new N-thioacylated ciprofloxacin derivatives as urease inhibitors with potential antibacterial activity.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-17993-4
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Design, synthesis, in vitro α-glucosidase inhibition, docking, and molecular dynamics of new phthalimide-benzenesulfonamide hybrids for targeting type 2 diabetes.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-14896-2
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- Article
Aryl-quinoline-4-carbonyl hydrazone bearing different 2-methoxyphenoxyacetamides as potent α-glucosidase inhibitors; molecular dynamics, kinetic and structure–activity relationship studies.
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- Scientific Reports, 2024, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-50395-8
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Synthesis, Biological Evaluation and Molecular Docking of Deferasirox and Substituted 1,2,4‐Triazole Derivatives as Novel Potent Urease Inhibitors: Proposing Repositioning Candidate.
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- Chemistry & Biodiversity, 2020, v. 17, n. 5, p. 1, doi. 10.1002/cbdv.201900710
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Design, Synthesis, Molecular Docking, and Cholinesterase Inhibitory Potential of Phthalimide‐Dithiocarbamate Hybrids as New Agents for Treatment of Alzheimer's Disease.
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- Chemistry & Biodiversity, 2019, v. 16, n. 11, p. N.PAG, doi. 10.1002/cbdv.201900370
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- Article