Works matching IS 13811991 AND DT 2024 AND VI 28 AND IP 6
Results: 48
Precision in stereochemistry: the integral role of catalytic asymmetric Biginelli reaction in crafting enantiomerically pure dihydropyrimidinones.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4441, doi. 10.1007/s11030-024-10827-7
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- Article
Synthesis of propargylamine: pioneering a green path with non-conventional KA<sup>2</sup> coupling approach.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4635, doi. 10.1007/s11030-024-10826-8
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Biocomputational screening of natural compounds targeting 15-hydroxyprostaglandin dehydrogenase to improve skeletal muscle during aging.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4425, doi. 10.1007/s11030-024-10825-9
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Exploring host epigenetic enzymes as targeted therapies for visceral leishmaniasis: in silico design and in vitro efficacy of KDM6B and ASH1L inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4403, doi. 10.1007/s11030-024-10824-w
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Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer's disease.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4381, doi. 10.1007/s11030-024-10821-z
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Identification of potential JNK3 inhibitors through virtual screening, molecular docking and molecular dynamics simulation as therapeutics for Alzheimer's disease.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4361, doi. 10.1007/s11030-024-10820-0
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Computational discovery of novel FYN kinase inhibitors: a cheminformatics and machine learning-driven approach to targeted cancer and neurodegenerative therapy.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4343, doi. 10.1007/s11030-024-10819-7
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Deciphering the multi-functional role of Indian propolis for the management of Alzheimer's disease by integrating LC–MS/MS, network pharmacology, molecular docking, and in-vitro studies.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4325, doi. 10.1007/s11030-024-10818-8
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In-silico identification and exploration of small molecule coumarin-1,2,3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4301, doi. 10.1007/s11030-024-10817-9
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Therapeutic applications of carbohydrate-based compounds: a sweet solution for medical advancement.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4553, doi. 10.1007/s11030-024-10810-2
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Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4259, doi. 10.1007/s11030-024-10815-x
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Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4241, doi. 10.1007/s11030-024-10814-y
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Structure-based drug design and characterization of novel pyrazine hydrazinylidene derivatives with a benzenesulfonate scaffold as noncovalent inhibitors of DprE1 tor tuberculosis treatment.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4221, doi. 10.1007/s11030-024-10812-0
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First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4199, doi. 10.1007/s11030-024-10811-1
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Guanidine dicycloamine-based analogs: green chemistry synthesis, biological investigation, and molecular docking studies as promising antibacterial and antiglycation leads.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4277, doi. 10.1007/s11030-024-10816-w
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Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4181, doi. 10.1007/s11030-024-10808-w
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Design, synthesis, and biological evaluation of new biaryl derivatives of cycloalkyl diacetamide bearing chalcone moiety as type II c-MET kinase inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4167, doi. 10.1007/s11030-024-10807-x
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Taming the cytokine storm: small molecule inhibitors targeting IL-6/IL-6α receptor.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4151, doi. 10.1007/s11030-023-10805-5
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Green synthesis and investigation of antioxidant and antibacterial activity of new derivatives of chromenoazepines employing CuO/TiO<sub>2</sub>@MWCNTs.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4137, doi. 10.1007/s11030-023-10803-7
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Repositioning of anti-infective compounds against monkeypox virus core cysteine proteinase: a molecular dynamics study.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4113, doi. 10.1007/s11030-023-10802-8
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Synthesis, modifications, and applications of iron-based nanoparticles.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4515, doi. 10.1007/s11030-023-10801-9
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Diversifying the benzenesulfonamide scaffold for potential V-ATPase inhibitors: synthesis and insecticidal activity evaluation.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4105, doi. 10.1007/s11030-023-10800-w
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Clustering of atoms relative to vector space in the Z-matrix coordinate system and 'graphical fingerprint' analysis of 3D pharmacophore structure.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4087, doi. 10.1007/s11030-023-10798-1
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In silico identification of potential phytochemical inhibitors for mpox virus: molecular docking, MD simulation, and ADMET studies.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4067, doi. 10.1007/s11030-023-10797-2
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The identification of c-Abl inhibitors as potential agents for Parkinson's disease: a preliminary in silico approach.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4051, doi. 10.1007/s11030-023-10796-3
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Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4467, doi. 10.1007/s11030-023-10794-5
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Antidiabetic potential of thiazolidinedione derivatives with efficient design, molecular docking, structural activity relationship, and biological activity: an update review (2021–2023).
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4609, doi. 10.1007/s11030-023-10793-6
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Sulfonamido, amido heterocyclic adducts of tetrazole derivatives as BACE1 inhibitors: in silico exploration.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4017, doi. 10.1007/s11030-023-10792-7
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Deciphering neuroprotective mechanism of nitroxoline in cerebral ischemia: network pharmacology and molecular modeling-based investigations.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3993, doi. 10.1007/s11030-023-10791-8
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Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3 + 2] cycloaddition reaction under ultrasound irradiation.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3979, doi. 10.1007/s11030-023-10790-9
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Discovery of Palbociclib as a potent c-Myc G4 stabilizer for lung cancer treatment using molecular docking, molecular dynamics simulation, and in vitro activity evaluation.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3965, doi. 10.1007/s11030-023-10789-2
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Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3949, doi. 10.1007/s11030-023-10788-3
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An in silico approach for identification of lead compound as FtsZ inhibitor.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3937, doi. 10.1007/s11030-023-10787-4
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Novel flavonol derivatives containing benzoxazole as potential antiviral agents: design, synthesis, and biological evaluation.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3919, doi. 10.1007/s11030-023-10786-5
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Comprehensive computational investigation for ligand recognition and binding dynamics of SdiA: a degenerate LuxR -type receptor in Klebsiella pneumoniae.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3897, doi. 10.1007/s11030-023-10785-6
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Network-based drug repurposing identifies small molecule drugs as immune checkpoint inhibitors for endometrial cancer.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3879, doi. 10.1007/s11030-023-10784-7
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Copper (II) complex supported on magnetic nanoparticles as a novel nanocatalyst for the synthesis of imidazo[1,2-a]pyridines.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3859, doi. 10.1007/s11030-023-10781-w
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Identification of molecular targets of Trigonelline for treating breast cancer through network pharmacology and bioinformatics-based prediction.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3835, doi. 10.1007/s11030-023-10780-x
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Anticancer activity features of imidazole-based ionic liquids and lysosomotropic detergents: in silico and in vitro studies.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3817, doi. 10.1007/s11030-023-10779-4
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Synthesis, biological evaluation and molecular docking studies of novel 1,3,4-thiadiazoles as potential anticancer agents and human carbonic anhydrase inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3801, doi. 10.1007/s11030-023-10778-5
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An overview of recent advancements in small molecules suppression of oncogenic signaling of K-RAS: an updated review.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 4581, doi. 10.1007/s11030-023-10777-6
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Design, synthesis and biological evaluation of MNK-PROTACs.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3783, doi. 10.1007/s11030-023-10776-7
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Design, synthesis, and pharmacological evaluation of indazole carboxamides of N-substituted pyrrole derivatives as soybean lipoxygenase inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3757, doi. 10.1007/s11030-023-10775-8
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Organohalogen chalcones: design, synthesis, ADMET prediction, molecular dynamics study and inhibition effect on acetylcholinesterase and carbonic anhydrase.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3739, doi. 10.1007/s11030-023-10774-9
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Synthesis, biological activities and mechanism studies of 1,3,4-oxadiazole analogues of petiolide A as anticancer agents.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3713, doi. 10.1007/s11030-023-10773-w
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Design and investigation of interactions of novel peptide conjugates of purine and pyrimidine derivatives with EGFR and its mutant T790M/L858R: an in silico and laboratory study.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3683, doi. 10.1007/s11030-023-10772-x
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Structure-based virtual screening against multiple Plasmodium falciparum kinases reveals antimalarial compounds.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3661, doi. 10.1007/s11030-023-10770-z
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Fluorinated 2-arylchroman-4-ones and their derivatives: synthesis, structure and antiviral activity.
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- Molecular Diversity, 2024, v. 28, n. 6, p. 3635, doi. 10.1007/s11030-023-10769-6
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