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Synthesis and antifungal activities of bisbenzazole derivatives.
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- Bioorganic & Medicinal Chemistry Reports, 2024, v. 7, n. 1, p. 10, doi. 10.25135/acg.oc.2405.32434
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- Article
Synthesis, molecular docking study, MD simulation, ADMET, and drug likeness of new thiazolo[3,2-a]pyridine-6,8-dicarbonitrile derivatives as potential anti-diabetic agents.
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- PLoS ONE, 2024, v. 19, n. 9, p. 1, doi. 10.1371/journal.pone.0306973
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- Article
Sedative and anxiolytic effects of Capparis sicula Duhamel: in vivo and in silico approaches with phytochemical profiling.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1443173
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- Article
Berberine chloride suppresses pancreatic adenocarcinoma proliferation and growth by targeting inflammation-related genes: an in silico analysis with in vitro and vivo validation.
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- Cancer Chemotherapy & Pharmacology, 2024, v. 94, n. 2, p. 169, doi. 10.1007/s00280-024-04663-7
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The structural insights of L-asparaginase from Pseudomonas aeruginosa CSPS4 at elevated temperatures highlight its thermophilic nature.
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- 3 Biotech, 2024, v. 14, n. 10, p. 1, doi. 10.1007/s13205-024-04072-w
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Enhancing the solubility and stability of Dendrobium officinale flavonoids through interaction with soybean peptides.
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- Journal of Food Measurement & Characterization, 2024, v. 18, n. 9, p. 7308, doi. 10.1007/s11694-024-02679-4
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- Article
DESIGN, SYNTHESIS, AND MOLECULAR DOCKING STUDY OF NEW ARYLTHIOETHER-AMIDE LINKED SULFONYL PIPERAZINE HYBRIDS AS ANTIBACTERIAL AGENTS.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 3, p. 972, doi. 10.31788/RJC.2024.1738841
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STRUCTURAL BASIS OF NOVEL ANTI-ROSACEA ACTIVE AGENT THROUGH INHIBITION OF KLK5 AND LL-37 GENE EXPRESSION: In-silico MODULATION.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 3, p. 875, doi. 10.31788/RJC.2024.1738898
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- Article
Antibody Engineering to Enhancement of Ranibizumab Binding Affinity for the Prevention and Treatment of Diabetic Retinopathy.
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- Iranian Journal of Diabetes & Obesity (IJDO), 2024, v. 16, n. 2, p. 112, doi. 10.18502/ijdo.v16i2.15710
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In silico testing of C<sub>9</sub>H<sub>12</sub>CINO<sub>2</sub> and C<sub>6</sub>H<sub>5</sub>Cl<sub>2</sub>NO as derivatives of acetaminophen using molecular docking method.
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- Notulae Scientia Biologicae, 2024, v. 16, n. 1, p. 1, doi. 10.15835/nsb16111632
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- Article
Advances in the structural basis for angiotensin-1 converting enzyme (ACE) inhibitors.
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- Bioscience Reports, 2024, v. 44, n. 8, p. 1, doi. 10.1042/BSR20240130
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Molecular level interaction, molecular structure, chemical reactivity, electronic and topological exploration and docking studies of 1-acetyl-4-piperidinecarboxylic acid.
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- Zeitschrift für Physikalische Chemie, 2024, v. 238, n. 9, p. 1705, doi. 10.1515/zpch-2023-0543
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- Article
In silico comparative analysis of cestode and human NPC1 provides insights for ezetimibe repurposing to visceral cestodiases treatment.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-72136-1
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Identification of novel PHGDH inhibitors based on computational investigation: an all-in-one combination strategy to develop potential anti-cancer candidates.
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- Frontiers in Pharmacology, 2024, p. 01, doi. 10.3389/fphar.2024.1405350
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- Article
Exploration of CHIR99021 by GSK-3β inhibition for triggering the liver regeneration process in partially hepatectomized rats.
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- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 8, p. 206, doi. 10.7324/JAPS.2024.186136
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Network pharmacology and molecular docking reveals the therapeutic mechanism of Musa acuminata against obsessive-compulsive disorder.
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- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 8, p. 182, doi. 10.7324/JAPS.2024.154791
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Chromatographical fingerprint analysis, in silico investigation, and identification of hepatoprotective active compounds from Capparis decidua Edgwe (Forssk.).
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- Journal of Applied Pharmaceutical Science, 2024, v. 14, n. 8, p. 112, doi. 10.7324/JAPS.2024.174125
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IN SILICO APPROACH IN THE DEVELOPMENT OF STRUCTURAL ANALOGUES OF RESVERATROL WITH IMPROVED DISTRIBUTION IN THE CENTRAL NERVOUS SYSTEM.
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- Kragujevac Journal of Science, 2024, v. 46, n. 1, p. 59, doi. 10.5937/KgJSci2400000M
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- Article
Caesalpinia bonducella Seeds Extracts are Non-toxic to the Gut Bacteria Lactobacillus rhamnosus, as Substantiated by In vitro and In silico Studies.
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- Journal of Pure & Applied Microbiology, 2024, v. 18, n. 3, p. 2070, doi. 10.22207/JPAM.18.3.57
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In silico Molecular Docking of Cyclic Peptides against TEM-1 Beta-Lactamases for Effective Antimicrobial Drug Development.
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- Journal of Pure & Applied Microbiology, 2024, v. 18, n. 3, p. 1674, doi. 10.22207/JPAM.18.3.16
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Novel Phytosterol with Antimicrobial Potential of Digera muricata Mart. from Chittorgarh Region, India.
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- Journal of Pure & Applied Microbiology, 2024, v. 18, n. 3, p. 1648, doi. 10.22207/JPAM.18.3.14
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Molecular Insights into Spirulina platensis Compounds Targeting TNFa and P21 in Delaying Cellular Senescence Mechanisms: An In Silico Approach.
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- Pharmacognosy Journal, 2024, v. 16, n. 4, p. 809, doi. 10.5530/pj.2024.16.134
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Comparative Analysis Molecular Simulation IL6R Alpha with TCZ and HIL6: Mechanism in Inflammatory Responses.
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- Pharmacognosy Journal, 2024, v. 16, n. 4, p. 738, doi. 10.5530/pj.2024.16.123
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- Article
“”Insilco Evaluation of Psoralea corylifolia for Novel Anti-Tubercular Compounds: Virtual Screening, Molecular Docking, and Dynamics Simulation Analysis”.
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- Current Trends in Biotechnology & Pharmacy, 2024, v. 18, n. 3, p. 1935, doi. 10.5530/ctbp.2024.3.39
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Virtual Screening of New azo Coumarin Derivatives as Possible Alkaline Phosphatase Inhibitors.
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- Current Trends in Biotechnology & Pharmacy, 2024, v. 18, n. 3, p. 1922, doi. 10.5530/ctbp.2024.3.38
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- Article
Comparison Between Dimethoxy Chalcone and Its Dinitro Pyrazoline by Their Computational Prediction.
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- Oriental Journal of Chemistry, 2024, v. 40, n. 4, p. 1067, doi. 10.13005/ojc/400418
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Exploring Benzimidazole Chemistry: Synthesis, Biological activity, and Molecular Docking Studies for Alzheimer's Treatment.
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- Oriental Journal of Chemistry, 2024, v. 40, n. 4, p. 1045, doi. 10.13005/ojc/400415
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- Article
In silico Discovery of Potential Natural Inhibitors against Trypanothione Synthetase in Canine leishmaniasis.
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- Indian Journal of Animal Research, 2024, v. 58, n. 8, p. 1340, doi. 10.18805/IJAR.B-4562
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Proven anti-virulence therapies in combating methicillinand vancomycin-resistant Staphylococcus aureus infections.
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- Frontiers in Cellular & Infection Microbiology, 2024, p. 1, doi. 10.3389/fcimb.2024.1403219
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- Article
Microencapsulation of Myrtus Communis Extracts in Saccharomyces Cerevisiae Cells: Effects on Phenolic Content and Antioxidant Capacity, Physical Characterization and Molecular Docking Analysis.
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- Food & Bioprocess Technology, 2024, v. 17, n. 10, p. 3281, doi. 10.1007/s11947-023-03316-6
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A Novel Bioactive Antimicrobial Film Based on Polyvinyl Alcohol-Protocatechuic Acid: Mechanism and Characterization of Biofilm Inhibition and its Application in Pork Preservation.
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- Food & Bioprocess Technology, 2024, v. 17, n. 10, p. 3319, doi. 10.1007/s11947-023-03309-5
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- Article
Aldose Reductase Evaluation against Diabetic Complications Using ADME and Molecular Docking Studies and DFT Calculations of Spiroindoline Derivative Molecule.
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- Journal of Natural & Applied Sciences, 2024, v. 28, n. 2, p. 281, doi. 10.19113/sdufenbed.1474689
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Synthesis, Antimicrobial Evaluation, and In Silico Studies of 2-Substituted-Phenyl-3-(5-Aryl/Heteroaryl Substituted Thiazol-2-yl) Thiazolidin-4-One Derivatives.
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- Assay & Drug Development Technologies, 2024, v. 22, n. 6, p. 325, doi. 10.1089/adt.2024.027
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Explore the mechanism of Pachymic acid in the treatment of myocardial fibrosis based on network pharmacology and in vitro experiments.
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- Journal of Hainan Medical University, 2024, v. 30, n. 10, p. 747, doi. 10.13210/j.cnki.jhmu.20240320.001
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Development and tissue specific expression of RAPGEF1 (C3G) transcripts having exons encoding disordered segments with predicted regulatory function.
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- Molecular Biology Reports, 2024, v. 51, n. 1, p. 1, doi. 10.1007/s11033-024-09845-3
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- Article
Marine-Derived Furanones Targeting Quorum-Sensing Receptors in Pseudomonas aeruginosa : Molecular Insights and Potential Mechanisms of Inhibition.
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- Bioinformatics & Biology Insights, 2024, p. 1, doi. 10.1177/11779322241275843
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- Article
Cymbopogon proximus phytochemicals induce S-phase arrest in A549 lung cancer cell lines via CDK2/cyclin A2 inhibition: gas chromatography-mass spectrometry and molecular docking analyses.
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- Zeitschrift für Naturforschung. Section C: A Journal of Biosciences, 2024, v. 79, n. 9/10, p. 275, doi. 10.1515/znc-2024-0059
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Network pharmacology- and molecular docking-based investigation on the mechanism of action of Si-ni San in the treatment of depression combined with anxiety and experimental verification in adolescent rats.
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- Frontiers in Psychiatry, 2024, p. 1, doi. 10.3389/fpsyt.2024.1414242
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- Article
Nitric Oxide Production Inhibitors from Vietnamese Knema globularia: An in Vitro and in Silico Study.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241280043
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- Article
Discovery of α-Glucosidase/Acetylcholinesterase Inhibitors from a Traditional Herbal Prescription of Qi-Li-Qiang-Xin Capsule by Time-Based Fractionation and Enzymatic Activity Assay.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241272684
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Exploring the Potential Pharmacological Basis and Mechanism of HJT Activity in the Treatment of CHD Based on UPLC-QE-MS and Network Pharmacology.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241275005
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- Article
Investigation of the Anti-Diabetic Potential of Coccinia barteri (Hook.F.) Leaf Using in Vitro and in Silico Molecular Docking Approaches.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241271633
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Identifying Potential Bioactive Components and Targets of Shaofuzhuyu Decoction in Treating Endometriosis Using serum Pharmacochemistry and Network Pharmacology.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241274177
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Exploration of the Therapeutic Potential of Salvianolic Acid B Against senile Cataracts Based on Network Pharmacology and Experimental Validation.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241272458
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- Article
Asiatic Acid, Quercetin, and Kaempferol From Centella asiatica as Potential Inhibitors of Alpha-1- Antichymotrypsin in Alzheimer’s Disease.
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- Natural Product Communications, 2024, v. 19, n. 8, p. 1, doi. 10.1177/1934578X241264637
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Exploring the molecular mechanism of ginseng against anthracycline-induced cardiotoxicity based on network pharmacology, molecular docking and molecular dynamics simulation.
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- Hereditas, 2024, v. 161, n. 1, p. 1, doi. 10.1186/s41065-024-00334-y
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CLigOpt: controllable ligand design through target-specific optimization.
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- Bioinformatics, 2024, v. 40, p. ii62, doi. 10.1093/bioinformatics/btae396
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Study on chemical constituents and antioxidant activities of Dianthus caryophyllus L.
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- Frontiers in Plant Science, 2024, p. 01, doi. 10.3389/fpls.2024.1438967
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- Article
A Network Pharmacology Study on Active Components and Targets of Citri Reticulatae Pericarpium for Treating Keloids.
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- Medicinal Plant, 2024, v. 15, n. 1, p. 18, doi. 10.19600/j.cnki.issn2152-3924.2024.01.004
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- Article
Identification of Hub of the Hub-Genes From Different Individual Studies for Early Diagnosis, Prognosis, and Therapies of Breast Cancer.
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- Bioinformatics & Biology Insights, 2024, p. 1, doi. 10.1177/11779322241272386
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- Article