Works matching IS 13811991 AND DT 2022 AND VI 26 AND IP 5
Results: 37
Combined ligand-based and structure-based design of PDE 9A inhibitors against Alzheimer's disease.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2877, doi. 10.1007/s11030-022-10504-7
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- Article
First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2847, doi. 10.1007/s11030-022-10478-6
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Synthesis of novel carboxamide- and carbohydrazide-benzimidazoles as selective butyrylcholinesterase inhibitors.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2863, doi. 10.1007/s11030-022-10476-8
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Cytotoxic effect, enzyme inhibition, and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2825, doi. 10.1007/s11030-022-10422-8
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A patent review on efficient strategies for the total synthesis of pazopanib, regorafenib and lenvatinib as novel anti-angiogenesis receptor tyrosine kinase inhibitors for cancer therapy.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2981, doi. 10.1007/s11030-022-10406-8
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Eco-friendly and regiospecific intramolecular cyclization reactions of cyano and carbonyl groups in N,N-disubstituted cyanamide.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2813, doi. 10.1007/s11030-022-10401-z
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Molecular dynamics and structure-based virtual screening and identification of natural compounds as Wnt signaling modulators: possible therapeutics for Alzheimer's disease.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2793, doi. 10.1007/s11030-022-10395-8
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Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2775, doi. 10.1007/s11030-022-10394-9
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Therapeutic potential of pyrrole and pyrrolidine analogs: an update.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2915, doi. 10.1007/s11030-022-10387-8
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Pharmacophore mapping of the crucial mediators of acetylcholinesterase and butyrylcholinesterase dual inhibition in Alzheimer's disease.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2761, doi. 10.1007/s11030-022-10377-w
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A review on synthetic account of 1,2,4-oxadiazoles as anti-infective agents.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2967, doi. 10.1007/s11030-021-10375-4
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Water extract of red mud: an efficient and renewable medium for environmentally benign synthesis of 2-amino-4H-chromenes.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2907, doi. 10.1007/s11030-021-10369-2
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An efficient and green one-pot synthesis of tetrahydrobenzo[a]xanthenes, 1,8-dioxo-octahydroxanthenes and dibenzo[a,j]xanthenes by Fe<sub>3</sub>O<sub>4</sub>@Agar-Ag as nanocatalyst.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2745, doi. 10.1007/s11030-021-10368-3
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The design of TOPK inhibitors using structure-based pharmacophore modeling and molecular docking based on an MD-refined homology model.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2679, doi. 10.1007/s11030-021-10361-w
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Heterogeneous catalyst SiO<sub>2</sub>–LaCl<sub>3</sub>·7H<sub>2</sub>O: characterization and microwave-assisted green synthesis of α-aminophosphonates and their antimicrobial activity.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2703, doi. 10.1007/s11030-021-10360-x
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Discovery of small molecular inhibitors for interleukin-33/ST2 protein–protein interaction: a virtual screening, molecular dynamics simulations and binding free energy calculations.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2659, doi. 10.1007/s11030-021-10359-4
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Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2613, doi. 10.1007/s11030-021-10358-5
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An environment-friendly methodology for the construction of diversified bicycloacenaphtho[1,2-d]imidazole-8-thione scaffolds using spinel NiFe<sub>2</sub>O<sub>4</sub> nanoparticles as a sustainable catalyst.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2561, doi. 10.1007/s11030-021-10356-7
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A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2631, doi. 10.1007/s11030-021-10355-8
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Molecular dynamics simulations, docking and MMGBSA studies of newly designed peptide-conjugated glucosyloxy stilbene derivatives with tumor cell receptors.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2717, doi. 10.1007/s11030-021-10354-9
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A critical analysis of urea transporter B inhibitors: molecular fingerprints, pharmacophore features for the development of next-generation diuretics.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2549, doi. 10.1007/s11030-021-10353-w
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Multi-scale mechanism of antiviral drug-alike phytoligands from Ayurveda in managing COVID-19 and associated metabolic comorbidities: insights from network pharmacology.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2575, doi. 10.1007/s11030-021-10352-x
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Detection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2535, doi. 10.1007/s11030-021-10351-y
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PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2523, doi. 10.1007/s11030-021-10350-z
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Construction of a prediction model for drug removal rate in hemodialysis based on chemical structures.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2647, doi. 10.1007/s11030-021-10348-7
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Anthranilamides with quinoline and β-carboline scaffolds: design, synthesis, and biological activity.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2595, doi. 10.1007/s11030-021-10347-8
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Synthesis of fish scale derived hydroxyapatite silica propyl bis aminoethoxy ethane cuprous complex (HASPBAEECC) as a novel hybrid nano-catalyst for highly efficient synthesis of new benzimidazole-1,2,3-triazole hybrid analogues as antifungal agents.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2503, doi. 10.1007/s11030-021-10346-9
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Identification of potential inhibitory analogs of metastasis tumor antigens (MTAs) using bioactive compounds: revealing therapeutic option to prevent malignancy.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2473, doi. 10.1007/s11030-021-10345-w
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Some metal chelates with Schiff base ligand: synthesis, structure elucidation, thermal behavior, XRD evaluation, antioxidant activity, enzyme inhibition, and molecular docking studies.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2459, doi. 10.1007/s11030-021-10344-x
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Analysis of the uncharted, druglike property space by self-organizing maps.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2427, doi. 10.1007/s11030-021-10343-y
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Urea-thiazole/benzothiazole hybrids with a triazole linker: synthesis, antimicrobial potential, pharmacokinetic profile and in silico mechanistic studies.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2375, doi. 10.1007/s11030-021-10336-x
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Design, synthesis and molecular docking studies of some 1-(5-(2-fluoro-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)piperazine derivatives as potential anti-inflammatory agents.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2893, doi. 10.1007/s11030-021-10340-1
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Application of polyionic magnetic nanoparticles as a catalyst for the synthesis of carbonitriles with both indole and triazole moieties via a cooperative geminal-vinylogous anomeric-based oxidation.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2407, doi. 10.1007/s11030-021-10339-8
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Recent advances in continuous flow synthesis of heterocycles.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2939, doi. 10.1007/s11030-021-10338-9
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One-pot multi-component synthesis of novel chromeno[4,3-b]pyrrol-3-yl derivatives as alpha-glucosidase inhibitors.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2393, doi. 10.1007/s11030-021-10337-w
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A novel series of pyrazole derivatives toward biological applications: experimental and conceptual DFT characterization.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2443, doi. 10.1007/s11030-021-10342-z
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Targeting the cytochrome bc<sub>1</sub> complex for drug development in M. tuberculosis: review.
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- Molecular Diversity, 2022, v. 26, n. 5, p. 2949, doi. 10.1007/s11030-021-10335-y
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