Works matching IS 13811991 AND DT 2024 AND VI 28 AND IP 2
Results: 29
Synthesis, antitumor evaluation and computational study of thiazolidinone derivatives of dehydroabietic acid-based B ring-fused-thiazole.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 875, doi. 10.1007/s11030-023-10626-6
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Synthesis, characterization, molecular docking studies of Mn(II)Prolinedithiocarbamate and its potential as anticancer agents.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 889, doi. 10.1007/s11030-023-10627-5
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Evaluation of the interaction between potent small molecules against the Nipah virus Glycoprotein in Malaysia and Bangladesh strains, accompanied by the human Ephrin-B2 and Ephrin-B3 receptors; a simulation approach.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 851, doi. 10.1007/s11030-023-10624-8
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Developments of pyridodipyrimidine heterocycles and their biological activities.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 927, doi. 10.1007/s11030-023-10623-9
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Design, synthesis and antifungal activity of novel amide derivatives containing a pyrrolidine moiety as potential succinate dehydrogenase inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 805, doi. 10.1007/s11030-023-10622-w
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An investigation of binding interactions of tumor-targeted peptide conjugated polyphenols with the kinase domain of ephrin B4 and B2 receptors.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 817, doi. 10.1007/s11030-023-10621-x
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Discovery of potential quality markers of Fritillariae thunbergii bulbus in pneumonia by combining UPLC-QTOF-MS, network pharmacology, and molecular docking.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 787, doi. 10.1007/s11030-023-10620-y
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Synthetic, biological and optoelectronic properties of phenoxazine and its derivatives: a state of the art review.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 965, doi. 10.1007/s11030-023-10619-5
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Discovery of potent inhibitors targeting Glutathione S-transferase of Wuchereria bancrofti: a step toward the development of effective anti-filariasis drugs.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 765, doi. 10.1007/s11030-023-10617-7
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Environmentally benign synthesis of unsymmetrical ureas and their evaluation as potential HIV-1 protease inhibitors via a computational approach.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 749, doi. 10.1007/s11030-023-10615-9
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Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 649, doi. 10.1007/s11030-023-10608-8
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In silico identification of a promising inhibitor of Fusarium oxysporum f. sp. Lycopersici, Secreted in Xylem 1 protein.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 711, doi. 10.1007/s11030-023-10613-x
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Design and synthesis of some novel hybrid molecules based on 4-thiazolidinone bearing pyridine-pyrazole scaffolds: molecular docking and molecular dynamics simulations of its major constituent onto DNA gyrase inhibition.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 693, doi. 10.1007/s11030-023-10612-y
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Discovery of novel BRD4-BD2 inhibitors via in silico approaches: QSAR techniques, molecular docking, and molecular dynamics simulations.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 671, doi. 10.1007/s11030-023-10611-z
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Decoding the mechanism of earthworm extract against wounds: an integrated metabolomics and network pharmacology study.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 631, doi. 10.1007/s11030-023-10609-7
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Unravelling the anti-inflammatory mechanism of Allium cepa: an integration of network pharmacology and molecular docking approaches.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 727, doi. 10.1007/s11030-023-10614-w
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Clarifying the mechanism of apigenin against blood–brain barrier disruption in ischemic stroke using systems pharmacology.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 609, doi. 10.1007/s11030-023-10607-9
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Design, synthesis, and anticancer evaluation of 1-benzo[1,3]dioxol-5-yl-3-N-fused heteroaryl indoles.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 595, doi. 10.1007/s11030-023-10605-x
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Therapeutic target mapping from the genome of Kingella negevensis and biophysical inhibition assessment through PNP synthase binding with traditional medicinal compounds.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 581, doi. 10.1007/s11030-023-10604-y
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New antiproliferative 3-substituted oxindoles inhibiting EGFR/VEGFR-2 and tubulin polymerization.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 563, doi. 10.1007/s11030-023-10603-z
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Machine learning combines atomistic simulations to predict SARS-CoV-2 Mpro inhibitors from natural compounds.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 553, doi. 10.1007/s11030-023-10601-1
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A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 531, doi. 10.1007/s11030-023-10600-2
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Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studies.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 509, doi. 10.1007/s11030-023-10599-6
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Integration of fingerprint-based similarity searching and kernel-based partial least squares analysis to predict inhibitory activity against CSK, HER2, JAK1, JAK2, and JAK3.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 497, doi. 10.1007/s11030-022-10596-1
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In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 475, doi. 10.1007/s11030-022-10594-3
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Synthesis, antifungal activity and mechanism of action of novel chalcone derivatives containing 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazole.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 461, doi. 10.1007/s11030-022-10593-4
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Effect of platelet exosomes loaded with doxorubicin as a targeted therapy on triple-negative breast cancer cells.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 449, doi. 10.1007/s11030-022-10591-6
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Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 901, doi. 10.1007/s11030-022-10590-7
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Prediction of probability distributions of molecular properties: towards more efficient virtual screening and better understanding of compound representations.
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- Molecular Diversity, 2024, v. 28, n. 2, p. 437, doi. 10.1007/s11030-022-10589-0
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