Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 2
Results: 27
Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 959, doi. 10.1007/s11030-022-10489-3
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- Article
Natural halloysite nanotubes as an efficient catalyst in strecker reaction: the synthesis of α-amino nitriles under solvent-free conditions.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 919, doi. 10.1007/s11030-022-10479-5
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- Article
Microwave-assisted synthesis, spectroscopic characterization, and biological evaluation of fused thieno[2,3-d]pyrimidines as potential anti-cancer agents targeting EGFR<sup>WT</sup> and EGFR<sup>T790M</sup>.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 901, doi. 10.1007/s11030-022-10477-7
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- Article
Antibacterial and antioxidant assay of novel heteroaryl-substituted methane derivatives synthesized via ceric ammonium nitrate (CAN) catalyzed one-pot green approach.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 889, doi. 10.1007/s11030-022-10461-1
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- Article
PTSA-catalyzed selective synthesis and antibacterial evaluation of 1,2-disubstituted benzimidazoles.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 873, doi. 10.1007/s11030-022-10460-2
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- Article
Amentoflavone derivatives significantly act towards the main protease (3CL<sup>PRO</sup>/M<sup>PRO</sup>) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacology.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 857, doi. 10.1007/s11030-022-10459-9
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- Article
Synthesis of dihydrofuran-3-one and 9,10-phenanthrenequinone hybrid molecules and biological evaluation against colon cancer cells as selective Akt kinase inhibitors.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 845, doi. 10.1007/s11030-022-10458-w
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- Article
A diastereoselective three-component reaction for the assembly of succinimide and isatin hybrid molecules with potent anticancer activities.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 837, doi. 10.1007/s11030-022-10457-x
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- Article
Aryl-n-hexanamide linked enaminones of usnic acid as promising antimicrobial agents.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 811, doi. 10.1007/s11030-022-10456-y
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- Article
Mining therapeutic targets from the antibiotic-resistant Campylobacter coli and virtual screening of natural product inhibitors against its riboflavin synthase.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 793, doi. 10.1007/s11030-022-10455-z
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- Article
Syntheses, in vitro, and in silico studies of rhodanine-based schiff bases as potential α-amylase inhibitors and radicals (DPPH and ABTS) scavengers.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 767, doi. 10.1007/s11030-022-10454-0
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- Article
Exploration of 4-aminopyrrolo[2,3-d]pyrimidine as antitubercular agents.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 753, doi. 10.1007/s11030-022-10453-1
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- Article
High-throughput virtual screening of small-molecule inhibitors targeting immune cell checkpoints to discover new immunotherapeutics for human diseases.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 729, doi. 10.1007/s11030-022-10452-2
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- Article
Synthesis of fused polycyclic β-carboline derivatives using Ugi-4CR followed by cascade cyclization.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 951, doi. 10.1007/s11030-022-10451-3
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- Article
Evaluation of xanthene-appended quinoline hybrids as potential leads against antimalarial drug targets.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 709, doi. 10.1007/s11030-022-10450-4
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- Article
Monoclonal antibody designed for SARS-nCoV-2 spike protein of receptor binding domain on antigenic targeted epitopes for inhibition to prevent viral entry.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 695, doi. 10.1007/s11030-022-10449-x
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- Article
Synthesis, spectral analysis, DFT calculations, biological potential and molecular docking studies of indole appended pyrazolo-triazine.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 679, doi. 10.1007/s11030-022-10448-y
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- Article
Creation of targeted compound libraries based on 3D shape recognition.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 939, doi. 10.1007/s11030-022-10447-z
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- Article
Efficient regioselective five-component synthesis of novel thiazolo[3,2-a]pyridine carbohydrazides and oxazolo[3,2-a]pyridine carbohydrazides.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 667, doi. 10.1007/s11030-022-10446-0
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- Article
External oxidant-free and transition metal-free synthesis of 5-amino-1,2,4-thiadiazoles as promising antibacterials against ESKAPE pathogen strains.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 651, doi. 10.1007/s11030-022-10445-1
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Interactions between HIV protease inhibitor ritonavir and human DNA repair enzyme ALKBH2: a molecular dynamics simulation study.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 931, doi. 10.1007/s11030-022-10444-2
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- Article
Molecular dynamic simulations reveal anti-SARS-CoV-2 activity of mitocurcumin by potentially blocking innate immune evasion proteins NSP3 and NSP16.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 635, doi. 10.1007/s11030-022-10443-3
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Correction to: Outliers in SAR and QSAR: 4. effects of allosteric protein–ligand interactions on the classical quantitative structure–activity relationships.
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- 2023
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- Correction Notice
Repositioning of experimentally validated anti-breast cancer peptides to target FAK-PAX complex to halt the breast cancer progression: a biomolecular simulation approach.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 603, doi. 10.1007/s11030-022-10438-0
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- Article
Design and synthesis of novel 2,2-dimethylchromene derivatives as potential antifungal agents.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 589, doi. 10.1007/s11030-022-10421-9
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- Article
Design, synthesis and fungicidal evaluation of novel psoralen derivatives containing sulfonohydrazide or acylthiourea moiety.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 571, doi. 10.1007/s11030-022-10402-y
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- Article
Setomimycin as a potential molecule for COVID‑19 target: in silico approach and in vitro validation.
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- Molecular Diversity, 2023, v. 27, n. 2, p. 619, doi. 10.1007/s11030-022-10441-5
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- Article