Works matching IS 13811991 AND DT 2025 AND VI 29 AND IP 1
Results: 50
Investigation into in silico and in vitro approaches for inhibitors targeting MCM10 in Leishmania donovani: a comprehensive study.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 575, doi. 10.1007/s11030-024-10876-y
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Computational study on the binding mechanism of allosteric drug TNO155 inhibiting SHP2<sup>E76A</sup>.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 639, doi. 10.1007/s11030-024-10881-1
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Computational identification of potential bioactive compounds from Triphala against alcoholic liver injury by targeting alcohol dehydrogenase.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 623, doi. 10.1007/s11030-024-10879-9
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L-proline H<sub>2</sub>SO<sub>4</sub> catalyzed synthesis of novel coumarin-based spiroindolino-3,4-dihydropyrimidin-2(1H)-ones: in vitro cytotoxic assay and molecular docking study.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 607, doi. 10.1007/s11030-024-10878-w
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Exploring the molecular mechanism of Epimedium for the treatment of ankylosing spondylitis based on network pharmacology, molecular docking, and molecular dynamics simulations.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 591, doi. 10.1007/s11030-024-10877-x
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Investigating the potent TOPO IIα inhibitors in breast cancer through the study of computational drug discovery research approaches.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 655, doi. 10.1007/s11030-024-10882-0
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Sinefungin analogs targeting VP39 methyltransferase as potential anti-monkeypox therapeutics: a multi-step computational approach.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 561, doi. 10.1007/s11030-024-10875-z
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Innovative cascade reaction for 2H-indazole derivative synthesis.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 551, doi. 10.1007/s11030-024-10874-0
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Design, synthesis and bioactivity evaluation of novel monomethyl auristatin F analogues.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 535, doi. 10.1007/s11030-024-10873-1
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An efficient methodological approach for synthesis of selenopyridines: generation, reactions, anticancer activity, EGFR inhibitory activity and molecular docking studies.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 519, doi. 10.1007/s11030-024-10872-2
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Identification and targeting of metastatic biomarkers for hepatocellular carcinoma therapeutics using small molecules library of curcumin analogues.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 503, doi. 10.1007/s11030-024-10871-3
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Anticancer potential and structure activity studies of purine and pyrimidine derivatives: an updated review.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 817, doi. 10.1007/s11030-024-10870-4
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Scaffolds imparting anthelmintic activity: recent advancements and SAR studies.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 783, doi. 10.1007/s11030-024-10869-x
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Reactivity of amino acids and short peptide sequences: identifying bioactive compounds via DFT calculations.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 489, doi. 10.1007/s11030-024-10868-y
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Design, spectroscopic characterizations, and biological investigation of oxospiro[chromine-4,3-indolene]-based compounds as promising antiproliferative EGFR inhibitors and antimicrobial agents.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 471, doi. 10.1007/s11030-024-10867-z
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Development of novel nitric oxide production inhibitors based on the 7H-pyrrolo[2,3-d]pyrimidine scaffold.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 457, doi. 10.1007/s11030-024-10866-0
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An insight for the inhibition of anxiolytic and anti-convulsant effects in zebrafish using the curcumins via exploring molecular docking and molecular dynamics simulations.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 439, doi. 10.1007/s11030-024-10865-1
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Application of 18β-glycyrrhetinic acid in the structural modification of natural products: a review.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 739, doi. 10.1007/s11030-024-10864-2
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Design, synthesis, and antitumor activity evaluation of BF<sub>3</sub>-o, m, p-phenylenediamine bridged with pyrimidine-indole BF<sub>3</sub> adduction derivatives.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 425, doi. 10.1007/s11030-024-10863-3
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Quinolone scaffolds as potential drug candidates against infectious microbes: a review.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 711, doi. 10.1007/s11030-024-10862-4
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Reaction strategies for the meta-selective functionalization of pyridine through dearomatization.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 849, doi. 10.1007/s11030-024-10861-5
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Design, synthesis, and evaluation of thiazolecarboxamide derivatives as stimulator of interferon gene inhibitors.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 397, doi. 10.1007/s11030-024-10860-6
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Development of novel 9H-carbazole-4H-chromene hybrids as dual cholinesterase inhibitors for the treatment of Alzheimer's disease.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 379, doi. 10.1007/s11030-024-10859-z
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An updated review on 1,2,3-/1,2,4-triazoles: synthesis and diverse range of biological potential.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 899, doi. 10.1007/s11030-024-10858-0
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Synthesis of cis-(8b,14a)-hexahydro-14H-dibenzo[f,h]oxazolo[3,2-b]isoquinolin-14-ones via photo cascade reaction.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 367, doi. 10.1007/s11030-024-10857-1
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Discovery of a novel DYRK1A inhibitor with neuroprotective activity by virtual screening and in vitro biological evaluation.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 337, doi. 10.1007/s11030-024-10856-2
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Argonaute protein assisted drug discovery for miRNA-181c-5p and target gene ATM translation repression: a computational approach.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 351, doi. 10.1007/s11030-024-10855-3
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The potential molecular markers of inflammatory response in KOA with AD based on single-cell transcriptome sequencing analysis and identification of ligands by virtual screening.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 319, doi. 10.1007/s11030-024-10854-4
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A Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF<sub>4</sub>: their in vitro and in silico anti-TB studies.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 303, doi. 10.1007/s11030-024-10853-5
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Asymmetric synthesis of spiro[4H-chromene-3,3′-oxindoles] via a squaramide-organocatalytic three-component cascade Knoevenagel/Michael/cyclization sequence.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 293, doi. 10.1007/s11030-024-10852-6
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Different receptor models show differences in ligand binding strength and location: a computational drug screening for the tick-borne encephalitis virus.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 281, doi. 10.1007/s11030-024-10850-8
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Design, synthesis and systemic acquired resistance of 2-benzothiadiazolylquinoline-4-carboxamides by COI1 based virtual screening.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 269, doi. 10.1007/s11030-024-10849-1
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Rational design, synthesis, and antimicrobial evaluation of novel 1,2,4-trizaole-substituted 1,3,4-oxadiazole derivatives with a dual thioether moiety.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 255, doi. 10.1007/s11030-024-10848-2
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Unraveling the anti-breast cancer activity of Cimicifugae rhizoma using biological network pathways and molecular dynamics simulation.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 241, doi. 10.1007/s11030-024-10847-3
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Antiangiogenic potential of phytochemicals from Clerodendrum inerme (L.) Gaertn investigated through in silico and quantum computational methods.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 215, doi. 10.1007/s11030-024-10846-4
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Design and synthesis of N-aryl-2-trifluoromethyl-quinazoline-4-amine derivatives as potential Werner-dependent antiproliferative agents.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 195, doi. 10.1007/s11030-024-10844-6
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Antiviral activity evaluation and action mechanism of chalcone derivatives containing phenoxypyridine.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 695, doi. 10.1007/s11030-024-10843-7
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Synthetic account on indoles and their analogues as potential anti-plasmodial agents.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 871, doi. 10.1007/s11030-024-10842-8
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Rational design, synthesis, biological evaluation, and molecular modeling of novel naphthamide derivatives possessing potent, reversible, and competitive inhibitory mode of action over human monoamine oxidase.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 179, doi. 10.1007/s11030-024-10841-9
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Design, synthesis and biological evaluation of 5H-[1,2,4]triazino[5,6-b]indole derivatives bearing a pyridinocycloalkyl moiety as iron chelators.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 163, doi. 10.1007/s11030-024-10840-w
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In silico study to identify novel NEK7 inhibitors from natural sources by a combination strategy.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 139, doi. 10.1007/s11030-024-10838-4
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Fragment-based discovery of new potential DNMT1 inhibitors integrating multiple pharmacophore modeling, 3D-QSAR, virtual screening, molecular docking, ADME, and molecular dynamics simulation approaches.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 117, doi. 10.1007/s11030-024-10837-5
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Design, synthesis and herbicidal activity of novel cyclohexanedione derivations containing pyrazole and pyridine groups as potential HPPD inhibitors.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 103, doi. 10.1007/s11030-024-10836-6
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Repurposing of drugs targeting heparan sulphate binding site of dengue virus envelope protein: an in silico competitive binding study.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 87, doi. 10.1007/s11030-024-10834-8
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In vitro anticancer study of novel curcumin derivatives via targeting PI3K/Akt/p53 signaling pathway.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 73, doi. 10.1007/s11030-024-10833-9
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Comparative assessment of different anti-CD147/Basigin 2 antibodies as a potential therapeutic anticancer target by molecular modeling and dynamic simulation.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 61, doi. 10.1007/s11030-024-10832-w
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Exploring chalcone-sulfonyl piperazine hybrids as anti-diabetes candidates: design, synthesis, biological evaluation, and molecular docking study.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 43, doi. 10.1007/s11030-024-10831-x
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Design and synthesis of new quinazolinone derivatives: investigation of antimicrobial and biofilm inhibition effects.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 21, doi. 10.1007/s11030-024-10830-y
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Network pharmacology combined with molecular docking and dynamics to assess the synergism of esculetin and phloretin against acute kidney injury-diabetes comorbidity.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 1, doi. 10.1007/s11030-024-10829-5
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Structure-based inhibition of acetylcholinesterase and butyrylcholinesterase with 2-Aryl-6-carboxamide benzoxazole derivatives: synthesis, enzymatic assay, and in silico studies.
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- Molecular Diversity, 2025, v. 29, n. 1, p. 671, doi. 10.1007/s11030-024-10828-6
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