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Academic Journal

Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors.

  • Authors : Ojeda-Montes MJ; Cheminformatics & Nutrition Research Group, Biochemistry & Biotechnology Departament, Universitat Rovira i Virgili, Campus de Sescelades, 43007 Tarragona, Catalonia, Spain.; Casanova-Martí À

Subjects: Databases, Chemical* ; Dipeptidyl-Peptidase IV Inhibitors*/Dipeptidyl-Peptidase IV Inhibitors*/Dipeptidyl-Peptidase IV Inhibitors*/chemistry ; Dipeptidyl-Peptidase IV Inhibitors*/Dipeptidyl-Peptidase IV Inhibitors*/Dipeptidyl-Peptidase IV Inhibitors*/pharmacology

  • Source: Future medicinal chemistry [Future Med Chem] 2019 Jun; Vol. 11 (12), pp. 1387-1401. Date of Electronic Publication: 2019 Jul 12.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening.

  • Authors : Federico LB; Computational Laboratory of Pharmaceutical Chemistry, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Av. do Café, s/n, Ribeirão Preto, SP, 14040-903, Brazil.; Silva GM

Subjects: COVID-19 Drug Treatment*; Antiviral Agents/Antiviral Agents/Antiviral Agents/*chemistry ; Protease Inhibitors/Protease Inhibitors/Protease Inhibitors/*chemistry

  • Source: Future medicinal chemistry [Future Med Chem] 2021 Aug; Vol. 13 (16), pp. 1353-1366. Date of Electronic Publication: 2021 Jun 25.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Discovery, biological evaluation and molecular dynamic simulations of butyrylcholinesterase inhibitors through structure-based pharmacophore virtual screening.

  • Authors : Lu T; School of Chemical Engineering, Sichuan University, Chengdu, 610065, China.; Liu Y

Subjects: Alzheimer Disease/Alzheimer Disease/Alzheimer Disease/*drug therapy ; Butyrylcholinesterase/Butyrylcholinesterase/Butyrylcholinesterase/*metabolism ; Cholinesterase Inhibitors/Cholinesterase Inhibitors/Cholinesterase Inhibitors/*chemistry

  • Source: Future medicinal chemistry [Future Med Chem] 2021 May; Vol. 13 (9), pp. 769-784. Date of Electronic Publication: 2021 Mar 24.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Public resources for chemical probes: the journey so far and the road ahead.

  • Authors : Antolin AA; The Department of Data Science, The Institute of Cancer Research, London, SM2 5NG, UK.; CRUK Cancer Therapeutics Unit, The Institute of Cancer Research, London, SM2 5NG, UK.

Subjects: Enzyme Inhibitors/Enzyme Inhibitors/Enzyme Inhibitors/*chemistry ; Molecular Probes/Molecular Probes/Molecular Probes/*chemistry ; Proteins/Proteins/Proteins/*metabolism

  • Source: Future medicinal chemistry [Future Med Chem] 2021 Apr; Vol. 13 (8), pp. 731-747. Date of Electronic Publication: 2019 Nov 28.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.

  • Authors : Zhang X; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, 155 Yang Qiao Xi Lu, Fuzhou, Fujian 350002, China.; Betzi S

Subjects: Databases, Chemical* ; Drug Design* ; Drug Discovery*

  • Source: Future medicinal chemistry [Future Med Chem] 2014 Jul; Vol. 6 (11), pp. 1291-307. Date of Electronic Publication: 2014 Apr 28.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Academic Journal

'Big data' in pharmaceutical science: challenges and opportunities.

Subjects: Chemistry, Pharmaceutical* ; Databases, Chemical*; Drug Design

  • Source: Future medicinal chemistry [Future Med Chem] 2014 May; Vol. 6 (8), pp. 857-64.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print Cited Medium:

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Academic Journal

Discovering novel P38α inhibitors for the treatment of prostate cancer through virtual screening methods.

  • Authors : Li K; Department of Urology, Sun Yat-sen Memorial Hospital, Sun Yat-sen University, Guangzhou, 510220, PR China.; Guangdong Provincial Key Laboratory of Malignant Tumor Epigenetics & Gene Regulation, Sun Yat-sen Memorial Hospital, Sun Yat-sen University, Guangzhou, 510120, PR China.

Subjects: Antineoplastic Agents/Antineoplastic Agents/Antineoplastic Agents/*pharmacology ; Drug Discovery/Drug Discovery/Drug Discovery/*methods ; Mitogen-Activated Protein Kinase 14/Mitogen-Activated Protein Kinase 14/Mitogen-Activated Protein Kinase 14/*antagonists & inhibitors

  • Source: Future medicinal chemistry [Future Med Chem] 2019 Dec; Vol. 11 (24), pp. 3125-3137.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print Cited Medium:

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Academic Journal

Epigenetic drug discovery: systematic assessment of chemical space.

  • Authors : Loharch S; Department of Advanced Protein Science, Institute of Microbial Technology, Chandigarh 160036, India.; Parkesh R

Subjects: Drug Discovery* ; Epigenesis, Genetic*; Databases, Chemical

  • Source: Future medicinal chemistry [Future Med Chem] 2019 Nov; Vol. 11 (21), pp. 2803-2819. Date of Electronic Publication: 2019 Nov 08.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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Editorial & Opinion

Maximizing the value of metabolomic data.

Subjects: Databases, Chemical*; Metabolomics/Metabolomics/Metabolomics/*methods; Humans

  • Source: Bioanalysis [Bioanalysis] 2012 Sep; Vol. 4 (18), pp. 2199-201.Publisher: Future Science Country of Publication: England NLM ID: 101512484 Publication Model: Print Cited Medium:

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Academic Journal

Second-generation activity cliffs identified on the basis of target set-dependent potency difference criteria.

  • Authors : Hu H; Department of Life Science Informatics, b-it, LIMES Program Unit Chemical Biology & Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.; Stumpfe D

Subjects: Chemistry, Pharmaceutical* ; Drug Design* ; Structure-Activity Relationship*

  • Source: Future medicinal chemistry [Future Med Chem] 2019 Mar; Vol. 11 (5), pp. 379-394. Date of Electronic Publication: 2019 Mar 19.Publisher: Future Science Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium:

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  • 1-10 of  18 results for ""Databases, Chemical""