Works matching IS 13811991 AND DT 2024 AND VI 28 AND IP 5
Results: 52
Determination of promising inhibitors for N-SH2 domain of SHP2 tyrosine phosphatase: an in silico study.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3393, doi. 10.1007/s11030-024-10880-2
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- Article
Correction: Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer's therapeutics employing molecular docking and dynamics simulation.
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- 2024
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- Correction Notice
Potential protein kinase inhibitors that target G-quadruplex DNA structures in the human telomeric regions.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3377, doi. 10.1007/s11030-023-10768-7
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Exploring Monkeypox: prospects for therapeutics through computational-aided drug discovery.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3497, doi. 10.1007/s11030-023-10767-8
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Rational design of FXR agonists: a computational approach for NASH therapy.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3363, doi. 10.1007/s11030-023-10766-9
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Investigating catalytic pathways: a comparative review of homogeneous and heterogeneous catalysis for 3-aroylimidazo[1,2-a]pyridine synthesis.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3479, doi. 10.1007/s11030-023-10765-w
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Identification of the myxobacterial secondary metabolites Aurachin A and Soraphinol A as promising inhibitors of thymidylate kinase of the Monkeypox virus.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3349, doi. 10.1007/s11030-023-10764-x
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High-throughput virtual screening of potential inhibitors of GPR52 using docking and biased sampling method for Huntington's disease therapy.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3331, doi. 10.1007/s11030-023-10763-y
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New tetrazolopyrrolidine-1,2,3-triazole analogues as potent anticancer agents: design, synthesis and molecular docking studies.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3313, doi. 10.1007/s11030-023-10762-z
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- Article
Mycobacterial FtsZ and inhibitors: a promising target for the anti-tubercular drug development.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3457, doi. 10.1007/s11030-023-10759-8
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Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular dynamics approaches.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3295, doi. 10.1007/s11030-023-10758-9
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Review on advancements of pyranopyrazole: synthetic routes and their medicinal applications.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3557, doi. 10.1007/s11030-023-10757-w
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- Article
Study on the mechanism of Gastrodiae Rhizoma, Lycii Fructus, and Ziziphi Spinosae Semen in sedation and tranquillising mind.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3279, doi. 10.1007/s11030-023-10756-x
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- Article
Exploration of phytochemical compounds against Marburg virus using QSAR, molecular dynamics, and free energy landscape.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3261, doi. 10.1007/s11030-023-10753-0
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Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3243, doi. 10.1007/s11030-023-10752-1
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Synthesis of pyrano-pyrimidines: recent advances in catalysis by magnetically recoverable nanocatalysts.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3523, doi. 10.1007/s11030-023-10751-2
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Mechanism of Artemisia annua L. in the treatment of acute myocardial infarction: network pharmacology, molecular docking and in vivo validation.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3225, doi. 10.1007/s11030-023-10750-3
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Design, synthesis, X-ray crystal structure, and antimicrobial evaluation of novel quinazolinone derivatives containing the 1,2,4-triazole Schiff base moiety and an isopropanol linker.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3215, doi. 10.1007/s11030-023-10749-w
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Correction to: Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study.
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- 2024
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- Correction Notice
Synthesis and evaluation of imidazo[1,2-a]quinoxaline derivatives as potential antifungal agents against phytopathogenic fungi.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3153, doi. 10.1007/s11030-023-10739-y
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Bactericidal activity of esculetin is associated with impaired cell wall synthesis by targeting glutamate racemase of Neisseria gonorrhoeae.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3181, doi. 10.1007/s11030-023-10745-0
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JAK2 inhibitors for the treatment of Philadelphia-negative myeloproliferative neoplasms: current status and future directions.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3445, doi. 10.1007/s11030-023-10742-3
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An efficient one-pot synthesis and docking studies of bioactive new antiproliferative dispiro[oxindole/acenaphthylenone‒benzofuranone] pyrrolidine scaffolds.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3165, doi. 10.1007/s11030-023-10741-4
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Synthesis and applications of cyclonucleosides: an update (2010–2023).
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3427, doi. 10.1007/s11030-023-10740-5
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Design anticancer potential of Zn(II)isoleucinedithiocarbamate complex on MCF-7 cell lines: synthesis, characterization, molecular docking, molecular dynamic, ADMET, and in-vitro studies.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3199, doi. 10.1007/s11030-023-10747-y
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Identification of potential flavonoid compounds as antibacterial therapeutics against Klebsiella pneumoniae infection using structure-based virtual screening and molecular dynamics simulation.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3111, doi. 10.1007/s11030-023-10738-z
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An in-silico scaffold- hopping approach to design novel inhibitors against gp130: A potential therapeutic application in cancer and Covid-19.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3129, doi. 10.1007/s11030-023-10737-0
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Design, synthesis, and STING-agonistic activity of benzo[b]thiophene-2-carboxamide derivatives.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3101, doi. 10.1007/s11030-023-10736-1
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Three finger toxins of elapids: structure, function, clinical applications and its inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3409, doi. 10.1007/s11030-023-10734-3
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Emodin derivatives as promising multi-aspect intervention agents for amyloid aggregation: molecular docking/dynamics simulation, bioactivities evaluation, and cytoprotection.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3085, doi. 10.1007/s11030-023-10733-4
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Breaking the 'don't eat me' signal: in silico design of CD47-directed peptides for cancer immunotherapy.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3067, doi. 10.1007/s11030-023-10732-5
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WGS-based screening of the co-chaperone protein DjlA-induced curved DNA binding protein A (CbpA) from a new multidrug-resistant zoonotic mastitis-causing Klebsiella pneumoniae strain: a novel molecular target of selective flavonoids.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3045, doi. 10.1007/s11030-023-10731-6
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QSAR analysis of five generations of cephalosporins to establish the structural basis of activity against methicillin-resistant and methicillin-sensitive Staphylococcus aureus.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3027, doi. 10.1007/s11030-023-10730-7
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A novel strategy to bind pyrimidine sulfonamide derivatives with odd even chains: exploration of their design, synthesis and biological activity evaluation.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3011, doi. 10.1007/s11030-023-10729-0
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An insight on medicinal attributes of 1,2,3‐ and 1,2,4‐triazole derivatives as alpha-amylase and alpha-glucosidase inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 3605, doi. 10.1007/s11030-023-10728-1
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Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2983, doi. 10.1007/s11030-023-10727-2
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Identifying β-secretase 1 (BACE1) inhibitors from plant-based compounds: an approach targeting Alzheimer's therapeutics employing molecular docking and dynamics simulation.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2967, doi. 10.1007/s11030-023-10726-3
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Validation of quercetin in the treatment of colon cancer with diabetes via network pharmacology, molecular dynamics simulations, and in vitro experiments.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2947, doi. 10.1007/s11030-023-10725-4
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Multivariate QSAR, similarity search and ADMET studies based in a set of methylamine derivatives described as dopamine transporter inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2931, doi. 10.1007/s11030-023-10724-5
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An evidence update to explore molecular targets and protective mechanisms of apigenin against abdominal aortic aneurysms based on network pharmacology and experimental validation.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2913, doi. 10.1007/s11030-023-10723-6
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Lactic acid bacteria secreted proteins as potential Listeria monocytogenes quorum sensing inhibitors.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2897, doi. 10.1007/s11030-023-10722-7
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Diversity-oriented synthesis of 1H-1,2,3-triazole tethered pyrazolo[5,1-b]quinazoline hybrids as antimicrobial agents.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2875, doi. 10.1007/s11030-023-10721-8
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Vitamin D3 regulates NSUN2 expression and inhibits melanoma cell proliferation and migration.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2863, doi. 10.1007/s11030-023-10720-9
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Repurposing the in-house generated Alzheimer's disease targeting molecules through computational and preliminary in-vitro studies for the management of SARS-coronavirus-2.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2847, doi. 10.1007/s11030-023-10717-4
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Repurposing of approved antivirals against dengue virus serotypes: an in silico and in vitro mechanistic study.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2831, doi. 10.1007/s11030-023-10716-5
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Synthesis of some new 2-(substituted-phenyl)imidazo[4,5-c] and [4,5-b]pyridine derivatives and their antimicrobial activities.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2817, doi. 10.1007/s11030-023-10715-6
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Network pharmacological analysis and experimental study of cucurbitacin B in oral squamous cell carcinoma.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2801, doi. 10.1007/s11030-023-10713-8
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Identification of natural potent inhibitors against Mycobacterium tuberculosis isocitrate lyase: an in silico study.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2783, doi. 10.1007/s11030-023-10711-w
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Identification of potent anti-immunogenic agents through virtual screening, 3D-QSAR studies, and in vitro experiments.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2771, doi. 10.1007/s11030-023-10709-4
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Repositioning the existing drugs for neuroinflammation: a fusion of computational approach and biological validation to counter the Parkinson's disease progression.
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- Molecular Diversity, 2024, v. 28, n. 5, p. 2759, doi. 10.1007/s11030-023-10708-5
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- Article