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Academic Journal

Covalent docking-driven virtual screening of extensive small-molecule libraries against Bruton tyrosine kinase for the identification of highly selective and potent novel therapeutic candidates.

  • Authors : Sambur E; Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, Istanbul, Turkey; Lab for Innovative Drugs (Lab4IND), Computational Drug Design Center (HITMER), Bahçeşehir University, Istanbul, Turkey.

Subjects: Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/antagonists & inhibitors ; Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/chemistry ; Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/Agammaglobulinaemia Tyrosine Kinase*/metabolism

  • Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Jul; Vol. 130, pp. 108762. Date of Electronic Publication: 2024 Apr 04.Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Identifying Potential SOS1 Inhibitors via Virtual Screening of Multiple Small Molecule Libraries against KRAS-SOS1 Interaction.

  • Authors : Ikram S; Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahçeşehir University, 34734, Istanbul, Turkey.; Lab for Innovative Drugs (Lab4IND), Computational Drug Design Center (HİTMER), Bahçeşehir University, 34734, İstanbul, Türkiye.

Subjects: SOS1 Protein*/SOS1 Protein*/SOS1 Protein*/metabolism ; SOS1 Protein*/SOS1 Protein*/SOS1 Protein*/antagonists & inhibitors ; SOS1 Protein*/SOS1 Protein*/SOS1 Protein*/chemistry

  • Source: Chembiochem : a European journal of chemical biology [Chembiochem] 2024 Jun 17; Vol. 25 (12), pp. e202400008. Date of Electronic Publication: 2024 May 29.Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 100937360 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Screening of Small-Molecule Libraries Using SARS-CoV-2-Derived Sequences Identifies Novel Furin Inhibitors.

  • Authors : Jorkesh A; Department of Pharmaceutical and Pharmacological Science, University of Padova, Via Marzolo, 5, 35131 Padova, Italy.; Department of Biology, University of Padua, Viale G. Colombo 3, 35131 Padova, Italy.

Subjects: Furin*/Furin*/Furin*/antagonists & inhibitors ; Furin*/Furin*/Furin*/metabolism ; SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/drug effects SARS-CoV-2 variants

  • Source: International journal of molecular sciences [Int J Mol Sci] 2024 May 07; Vol. 25 (10). Date of Electronic Publication: 2024 May 07.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Discovery of small molecules for autophagy-lysosome degradation of immune checkpoint proteins.

  • Authors : Wang K; Department of Biomedical Engineering and Diagnostic Pharmacy, School of Engineering, China Pharmaceutical University, Nanjing, 210009, China.; Qi Z

Subjects: Autophagy*/Autophagy*/Autophagy*/drug effects ; Drug Discovery* ; Lysosomes*/Lysosomes*/Lysosomes*/metabolism

  • Source: European journal of medicinal chemistry [Eur J Med Chem] 2024 Dec 15; Vol. 280, pp. 116958. Date of Electronic Publication: 2024 Oct 16.Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

The evolution of small-molecule Akt inhibitors from hit to clinical candidate.

  • Authors : Tian G; Department of Neurosurgery, China-Japan Union Hospital of Jilin University, Changchun, China.; Chen Z

Subjects: Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/pharmacology ; Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/chemistry ; Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/Protein Kinase Inhibitors*/chemical synthesis

  • Source: European journal of medicinal chemistry [Eur J Med Chem] 2024 Dec 05; Vol. 279, pp. 116906. Date of Electronic Publication: 2024 Sep 27.Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Clinical applications of small-molecule GABA A R modulators for neurological disorders.

  • Authors : Chen G; Department of Neurosurgery, China-Japan Union Hospital of Jilin University, Changchun, China.; Xu M

Subjects: Receptors, GABA-A*/Receptors, GABA-A*/Receptors, GABA-A*/metabolism ; Nervous System Diseases*/Nervous System Diseases*/Nervous System Diseases*/drug therapy ; Nervous System Diseases*/Nervous System Diseases*/Nervous System Diseases*/metabolism

  • Source: Bioorganic chemistry [Bioorg Chem] 2024 Dec; Vol. 153, pp. 107983. Date of Electronic Publication: 2024 Nov 22.Publisher: Elsevier Country of Publication: United States NLM ID: 1303703 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Identification of novel PD-1/PD-L1 small molecule inhibitors: virtual screening, synthesis and in vitro characterisation.

  • Authors : Wu T; Guizhou Provincial Engineering Technology Research Center for Chemical Drug R&D, Guizhou Medical University, Guiyang, China.; Department of Pharmacy, Zhejiang Provincial People's Hospital BiJie Hospital, Bijie, China.

Subjects: B7-H1 Antigen*/B7-H1 Antigen*/B7-H1 Antigen*/antagonists & inhibitors ; B7-H1 Antigen*/B7-H1 Antigen*/B7-H1 Antigen*/metabolism ; Drug Evaluation, Preclinical*

  • Source: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2024 Dec; Vol. 39 (1), pp. 2353711. Date of Electronic Publication: 2024 Jun 17.Publisher: Taylor & Francis Country of Publication: England NLM ID: 101150203 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

A Phenotypic High-Throughput Screen Identifies Small Molecule Modulators of Endogenous RGS10 in BV-2 Cells.

  • Authors : Talele S; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, California 92697, United States.; Gonzalez S

Subjects: RGS Proteins*/RGS Proteins*/RGS Proteins*/metabolism ; RGS Proteins*/RGS Proteins*/RGS Proteins*/genetics ; High-Throughput Screening Assays*/High-Throughput Screening Assays*/High-Throughput Screening Assays*/methods

  • Source: Journal of medicinal chemistry [J Med Chem] 2024 Nov 28; Vol. 67 (22), pp. 20343-20352. Date of Electronic Publication: 2024 Nov 15.Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Challenges and Prospects of DNA-Encoded Library Data Interpretation.

  • Authors : Wichert M; Roche Pharma Research and Early Development, Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd, Grenzacherstrasse 124, 4070 Basel, Switzerland.; Guasch L

Subjects: DNA*/DNA*/DNA*/chemistry ; Drug Discovery*/Drug Discovery*/Drug Discovery*/methods ; Small Molecule Libraries*/Small Molecule Libraries*/Small Molecule Libraries*/chemistry

  • Source: Chemical reviews [Chem Rev] 2024 Nov 27; Vol. 124 (22), pp. 12551-12572. Date of Electronic Publication: 2024 Nov 07.Publisher: American Chemical Society Country of Publication: United States NLM ID: 2985134R Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Nonspecific Yet Selective Interactions Contribute to Small Molecule Condensate Binding.

  • Authors : Wang C; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.; Kilgore HR

Subjects: Small Molecule Libraries*/Small Molecule Libraries*/Small Molecule Libraries*/chemistry ; Small Molecule Libraries*/Small Molecule Libraries*/Small Molecule Libraries*/pharmacology; Ligands

  • Source: Journal of chemical theory and computation [J Chem Theory Comput] 2024 Nov 26; Vol. 20 (22), pp. 10247-10258. Date of Electronic Publication: 2024 Nov 13.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet

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  • 1-10 of  20,609 results for ""Small Molecule Libraries""