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  • 1-10 ل  44 نتائج ل ""Molecular docking""

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Collection : Universite De Montpellier
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Academic Journal

Novel Co 2+ and Cd 2+ Complexes Derived From a New N ‐Donor Pyridyl‐Functionalized Thiophosphoric Triamide Ligand: Structural Investigation, DNA/COVID‐19/Monkeypox Molecular Docking, and Biological Assays

Subjects: Thiophosphoramide; X-ray crystallography; Anticancer

  • Source: ISSN: 0268-2605.

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Academic Journal

Structural, Hirshfeld surface and molecular docking studies of a new organotin(IV)-phosphoric triamide complex and an amidophosphoric acid ester proposed as possible SARS-CoV-2 and Monkeypox inhibitors

Subjects: Organotin(IV)-phosphoramide complex; X-ray crystallography; Hirshfeld surface analysis

  • Source: ISSN: 2405-8440 ; Heliyon ; https://hal.science/hal-04188151 ; Heliyon, 2023, 9 (6), pp.e17358. ⟨10.1016/j.heliyon.2023.e17358⟩.

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Academic Journal

Experimental and theoretical study of novel amino‐functionalized P(V) coordination compounds suggested as inhibitor of M$^{Pro}$ of SARS‐COV‐2 by molecular docking study

Subjects: amino-functionalized P(V) coordination compound; coronavirus inhibitor; density functional theory (DFT)

  • Source: ISSN: 0268-2605.

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Academic Journal

Synthesis, Crystal Structure, Inhibitory Activity and Molecular Docking of Coumarins/Sulfonamides Containing Triazolyl Pyridine Moiety as Potent Selective Carbonic Anhydrase IX and XII Inhibitors

Subjects: Coumarin; Sulfonamide; Rhenium(I) complex

  • Source: ISSN: 2073-4352 ; Crystals ; https://hal.science/hal-03377246 ; Crystals, 2021, 11 (9), pp.1076. ⟨10.3390/cryst11091076⟩.

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Academic Journal

Exploring the Therapeutic Potential of Ammodaucus leucotrichus Seed Extracts: A Multi-Faceted Analysis of Phytochemical Composition, Anti-Inflammatory Efficacy, Predictive Anti-Arthritic Properties, and Molecular Docking Insights

Subjects: [CHIM.MATE]Chemical Sciences/Material chemistry; [CHIM]Chemical Sciences

  • Source: ISSN: 1424-8247 ; Pharmaceuticals ; https://hal.science/hal-04816446 ; Pharmaceuticals, 2024, 17 (3), pp.385. ⟨10.3390/ph17030385⟩.

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Academic Journal

Structural and Molecular Packing study of Three New Amidophosphoric Acid Esters and Assessment of Their Inhibiting Activity Against SARS‐CoV‐2 by Molecular Docking

Subjects: [CHIM.THER]Chemical Sciences/Medicinal Chemistry; [CHIM.CRIS]Chemical Sciences/Cristallography; [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry

  • Source: ISSN: 2365-6549.

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Academic Journal

Bioactivity profiling of Sanghuangporus lonicerinus : antioxidant, hypoglycaemic, and anticancer potential via in-vitro and in-silico approaches

Subjects: anticancer diabetes molecular docking phylogeny polyphenolics; anticancer; diabetes

  • Source: ISSN: 1475-6366.

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Academic Journal

APH Inhibitors that Reverse Aminoglycoside Resistance in Enterococcus casseliflavus ; Inhibiteurs de l'APH qui réversent la résistance aux aminoglycosides chez Enterococcus casseliflavus

Subjects: Allostery; Antibiotic resistance; Inhibitors

  • Source: ISSN: 1860-7179.

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Academic Journal

Insights into substrate and inhibitor selectivity among human GLUT transporters through comparative modeling and molecular docking

Subjects: GLUT; SLC; glucose transportes

  • Source: ISSN: 2470-1343 ; ACS Omega ; https://hal.science/hal-04971776 ; ACS Omega, 2019, 4 (3), pp.4748-4760. ⟨10.1021/acsomega.8b03447⟩.

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Academic Journal

Kinetic characterization and molecular docking of novel allosteric inhibitors of aminoglycoside phosphotransferases

Subjects: Allosteric inhibitors; Antibiotic resistance; Docking

  • Source: ISSN: 0304-4165.

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  • 1-10 ل  44 نتائج ل ""Molecular docking""