Search Results - "Libraries"

Drugging the undruggable: Chemical and biological insights into molecular glues in the pipeline.

Authors: Metwally K Yahya G Abo-Dya NE

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118132. Date of Electronic Publication: 2025 Sep 09.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Drug Discovery* , Proteins*/antagonists & inhibitors , Proteins*/metabolism , Proteins*/chemistry , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Molecular Structure ; Thalidomide/chemistry ; Thalidomide/pharmacology ; Animals

Small-molecule FGFR-targeted medicinal chemistry: Advances since 2020 and future perspectives.

Authors: Yue H Wang Y Zhang N et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118117. Date of Electronic Publication: 2025 Sep 08.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Receptors, Fibroblast Growth Factor*/antagonists & inhibitors , Receptors, Fibroblast Growth Factor*/metabolism , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Protein Kinase Inhibitors*/pharmacology , Protein Kinase Inhibitors*/chemistry , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Neoplasms*/drug therapy , Neoplasms*/metabolism, Humans ; Chemistry, Pharmaceutical ; Molecular Structure ; Animals

Emerging opportunities and challenges in small molecule development for non-HSP90 chaperones.

Authors: Tang M Wu Q Liu Y et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118100. Date of Electronic Publication: 2025 Aug 31.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemical synthesis , Heat-Shock Proteins*/antagonists & inhibitors , Heat-Shock Proteins*/metabolism , Molecular Chaperones*/antagonists & inhibitors , Molecular Chaperones*/metabolism , Drug Development*, Humans ; Molecular Structure ; Drug Discovery ; Animals ; HSP90 Heat-Shock Proteins/antagonists & inhibitors ; HSP90 Heat-Shock Proteins/metabolism

Novel small molecule analogs for advancing apelin receptor antagonism with enhanced plasma and microsomal stability.

Authors: Bist G Elsheikh A Kim S et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2025 Dec 15; Vol. 129, pp. 130367. Date of Electronic Publication: 2025 Aug 08.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

MeSH Terms: Apelin Receptors*/antagonists & inhibitors , Apelin Receptors*/metabolism , Microsomes, Liver*/metabolism , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemical synthesis, Humans ; Structure-Activity Relationship ; Molecular Structure ; Dose-Response Relationship, Drug

Progress in small-molecule inhibitors of gasdermin D.

Authors: Shua Y Wang Q Wang Y et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118171. Date of Electronic Publication: 2025 Sep 14.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Phosphate-Binding Proteins*/antagonists & inhibitors , Phosphate-Binding Proteins*/metabolism , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemical synthesis , Intracellular Signaling Peptides and Proteins*/antagonists & inhibitors , Intracellular Signaling Peptides and Proteins*/metabolism, Humans ; Molecular Structure ; Pyroptosis/drug effects ; Animals ; Structure-Activity Relationship ; Gasdermins

Discovery of small-molecule modulators of ppGalNAc-T2 targeting the metastable states during its loop-closing process.

Authors: Shi D Luo X Wang L et al.

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2025 Dec 15; Vol. 129, pp. 130373. Date of Electronic Publication: 2025 Aug 16.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

MeSH Terms: Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemical synthesis , Drug Discovery* , N-Acetylgalactosaminyltransferases*/metabolism , N-Acetylgalactosaminyltransferases*/antagonists & inhibitors , N-Acetylgalactosaminyltransferases*/chemistry , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis, Humans ; Structure-Activity Relationship ; Polypeptide N-acetylgalactosaminyltransferase ; Molecular Structure ; Dose-Response Relationship, Drug ; Molecular Docking Simulation ; Models, Molecular

Contemporary trends in targeted protein degradation for neurodegenerative diseases.

Authors: Kumar G Thakur V Sardana S et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 15; Vol. 300, pp. 118110. Date of Electronic Publication: 2025 Aug 29.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Neurodegenerative Diseases*/drug therapy , Neurodegenerative Diseases*/metabolism , Proteolysis*/drug effects , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Animals ; Molecular Structure

Solid-phase synthesis of a pyrrole library and identification of bioactive compounds.

Authors: Lee S Eubanks LM Janda KD

Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2025 Dec 15; Vol. 129, pp. 130387. Date of Electronic Publication: 2025 Aug 23.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE

MeSH Terms: Pyrroles*/chemical synthesis , Pyrroles*/pharmacology , Pyrroles*/chemistry , Small Molecule Libraries*/chemical synthesis , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Antineoplastic Agents*/chemical synthesis , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry, Humans ; Cell Proliferation/drug effects ; Solid-Phase Synthesis Techniques ; Combinatorial Chemistry Techniques ; Cell Line, Tumor ; Structure-Activity Relationship ; Molecular Structure ; Drug Screening Assays, Antitumor

Strength of FeS Bonds and Hydrogen Bonds in Small Molecule Inhibitors of Bacterioferritin: QM/MM and Local Mode Analysis.

Authors: Freindorf M Kraka E

Source: Journal of computational chemistry [J Comput Chem] 2025 Dec 05; Vol. 46 (31), pp. e70266.

Publication Type: Journal Article

Journal Info: Publisher: Wiley Country of Publication: United States NLM ID: 9878362 Publication Model: Print Cited Medium: Internet ISSN: 1096-987X (Electronic) Linking ISSN: 01928651 NLM ISO Abbreviation: J Comput Chem Subsets: MEDLINE

MeSH Terms: Ferritins*/antagonists & inhibitors , Ferritins*/chemistry , Ferritins*/metabolism , Bacterial Proteins*/antagonists & inhibitors , Bacterial Proteins*/chemistry , Bacterial Proteins*/metabolism , Cytochrome b Group*/antagonists & inhibitors , Cytochrome b Group*/chemistry , Cytochrome b Group*/metabolism , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Quantum Theory* , Iron*/chemistry, Hydrogen Bonding ; Pseudomonas aeruginosa/chemistry ; Density Functional Theory ; Oxidation-Reduction

Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.

Authors: Xiao Q Tang J Shu H et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 05; Vol. 299, pp. 118048. Date of Electronic Publication: 2025 Aug 07.

Publication Type: Journal Article

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis , NIMA-Interacting Peptidylprolyl Isomerase*/antagonists & inhibitors , NIMA-Interacting Peptidylprolyl Isomerase*/metabolism , NIMA-Interacting Peptidylprolyl Isomerase*/chemistry , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Crystallography, X-Ray ; Dose-Response Relationship, Drug ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship ; Cystine/chemistry ; Cystine/metabolism

Recent advances of small-molecule Mcl-1 inhibitors or degraders as promising anti-cancer agents (2018-present).

Authors: Chen H Yan Z Xiao C et al.

Source: European journal of medicinal chemistry [Eur J Med Chem] 2025 Dec 05; Vol. 299, pp. 118079. Date of Electronic Publication: 2025 Aug 20.

Publication Type: Journal Article; Review

Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

MeSH Terms: Myeloid Cell Leukemia Sequence 1 Protein*/antagonists & inhibitors , Myeloid Cell Leukemia Sequence 1 Protein*/metabolism , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Neoplasms*/drug therapy , Neoplasms*/metabolism , Neoplasms*/pathology, Humans ; Structure-Activity Relationship ; Molecular Structure ; Cell Proliferation/drug effects ; Animals ; Drug Screening Assays, Antitumor ; Apoptosis/drug effects

DeepTargetClass: a web-based platform for predicting protein target classes of small molecules.

Authors: Ouassaf M Alhatlani BY

Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2025 Dec 03; Vol. 40 (1), pp. 11. Date of Electronic Publication: 2025 Dec 03.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

MeSH Terms: Drug Discovery*/methods , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Deep Learning* , Proteins*/chemistry, Internet ; Receptors, G-Protein-Coupled/chemistry ; Receptors, G-Protein-Coupled/antagonists & inhibitors ; Ligands ; Humans ; Receptors, Cytoplasmic and Nuclear/chemistry ; Receptors, Cytoplasmic and Nuclear/antagonists & inhibitors

Biocatalytic- and Chemoproteomic-Guided Discovery of a PHGDH Inhibitor from Chemoenzymatic-Promoted DNA-Encoded Libraries Selection Platform.

Authors: Zhang Y Lan Y Fan R et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2025 Dec 03; Vol. 147 (48), pp. 44396-44405. Date of Electronic Publication: 2025 Nov 20.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE

MeSH Terms: DNA*/chemistry , DNA*/metabolism , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis , Enzyme Inhibitors*/metabolism , Phosphoglycerate Dehydrogenase*/antagonists & inhibitors , Phosphoglycerate Dehydrogenase*/metabolism , Drug Discovery* , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Biocatalysis ; Humans

Targeting Tenascin-C-Toll-like Receptor 4 signalling with Adhiron-derived small molecules - a viable strategy for reducing fibrosis in systemic sclerosis.

Authors: Gaule T Simmons KJ Walker K et al.

Source: Bioorganic chemistry [Bioorg Chem] 2025 Dec; Vol. 167, pp. 109251. Date of Electronic Publication: 2025 Nov 15.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 1303703 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2120 (Electronic) Linking ISSN: 00452068 NLM ISO Abbreviation: Bioorg Chem Subsets: MEDLINE

MeSH Terms: Tenascin*/metabolism , Tenascin*/antagonists & inhibitors , Scleroderma, Systemic*/drug therapy , Scleroderma, Systemic*/pathology , Scleroderma, Systemic*/metabolism , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/chemical synthesis , Toll-Like Receptor 4*/metabolism , Toll-Like Receptor 4*/antagonists & inhibitors, Humans ; Fibrosis/drug therapy ; Fibrosis/metabolism ; Structure-Activity Relationship ; Signal Transduction/drug effects ; Molecular Structure ; Fibroblasts/drug effects ; Fibroblasts/metabolism ; Dose-Response Relationship, Drug ; Cells, Cultured

Recent progress in the exploitation of anti-cancer small molecules targeting angiogenesis.

Authors: Zheng Y Qiu H Zhang K et al.

Source: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2025 Dec; Vol. 40 (1), pp. 2584811. Date of Electronic Publication: 2025 Nov 20.

Publication Type: Journal Article; Review

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101150203 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1475-6374 (Electronic) Linking ISSN: 14756366 NLM ISO Abbreviation: J Enzyme Inhib Med Chem Subsets: MEDLINE

MeSH Terms: Angiogenesis Inhibitors*/pharmacology , Angiogenesis Inhibitors*/chemistry , Angiogenesis Inhibitors*/chemical synthesis , Neovascularization, Pathologic*/drug therapy , Neovascularization, Pathologic*/metabolism , Neovascularization, Pathologic*/pathology , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/chemical synthesis , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/chemical synthesis , Neoplasms*/drug therapy , Neoplasms*/pathology , Neoplasms*/blood supply, Humans ; Structure-Activity Relationship ; Molecular Structure ; Cell Proliferation/drug effects ; Animals ; Apoptosis/drug effects ; Drug Screening Assays, Antitumor ; Angiogenesis

PD-L1-targeted novel molecule design: recent advances in immunomodulatory technologies and emerging insights in Cancer therapy.

Authors: Zhang F Ni R Qian L et al.

Source: Bioorganic chemistry [Bioorg Chem] 2025 Dec; Vol. 167, pp. 109238. Date of Electronic Publication: 2025 Nov 12.

Publication Type: Journal Article; Review

Journal Info: Publisher: Elsevier Country of Publication: United States NLM ID: 1303703 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1090-2120 (Electronic) Linking ISSN: 00452068 NLM ISO Abbreviation: Bioorg Chem Subsets: MEDLINE

MeSH Terms: B7-H1 Antigen*/antagonists & inhibitors , B7-H1 Antigen*/metabolism , B7-H1 Antigen*/immunology , Neoplasms*/drug therapy , Neoplasms*/immunology , Drug Design* , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/chemical synthesis , Immune Checkpoint Inhibitors*/pharmacology , Immune Checkpoint Inhibitors*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/chemical synthesis, Humans ; Molecular Structure ; Animals ; Immunotherapy

Small-molecule control of CAR T cells.

Authors: Adams EL McGovern AC So V et al.

Source: Nature reviews. Chemistry [Nat Rev Chem] 2025 Dec; Vol. 9 (12), pp. 809-825. Date of Electronic Publication: 2025 Oct 29.

Publication Type: Journal Article; Review

Journal Info: Publisher: Springer Nature Country of Publication: England NLM ID: 101703631 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2397-3358 (Electronic) Linking ISSN: 23973358 NLM ISO Abbreviation: Nat Rev Chem Subsets: MEDLINE

MeSH Terms: Receptors, Chimeric Antigen*/immunology , Receptors, Chimeric Antigen*/metabolism , T-Lymphocytes*/immunology , T-Lymphocytes*/drug effects , T-Lymphocytes*/metabolism , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemistry , Immunotherapy, Adoptive*/methods , Neoplasms*/therapy , Neoplasms*/immunology , Receptors, Antigen, T-Cell*, Humans ; Animals

Discovery of Potential GPRC5D Inhibitors through Virtual Screening and Molecular Dynamics Simulations.

Authors: Chen X Yang X Chen R et al.

Source: ChemistryOpen [ChemistryOpen] 2025 Dec; Vol. 14 (12), pp. e202500360. Date of Electronic Publication: 2025 Sep 07.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Verlag Country of Publication: Germany NLM ID: 101594811 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2191-1363 (Electronic) Linking ISSN: 21911363 NLM ISO Abbreviation: ChemistryOpen Subsets: MEDLINE

MeSH Terms: Receptors, G-Protein-Coupled*/antagonists & inhibitors , Receptors, G-Protein-Coupled*/metabolism , Molecular Dynamics Simulation* , Drug Discovery* , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology, Humans ; Ligands ; Drug Evaluation, Preclinical

High-Throughput Synthesis and Screening of a Cyanimide Library Identifies Selective Inhibitors of ISG15-Specific Protease mUSP18.

Authors: Kooij R Pol V Gan J et al.

Source: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2025 Dec 01; Vol. 64 (49), pp. e202510941. Date of Electronic Publication: 2025 Oct 07.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773 (Electronic) Linking ISSN: 14337851 NLM ISO Abbreviation: Angew Chem Int Ed Engl Subsets: MEDLINE

MeSH Terms: High-Throughput Screening Assays* , Ubiquitins*/metabolism , Ubiquitins*/antagonists & inhibitors , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/chemical synthesis , Small Molecule Libraries*/pharmacology , Protease Inhibitors*/chemistry , Protease Inhibitors*/chemical synthesis , Protease Inhibitors*/pharmacology , Cytokines*/metabolism , Cytokines*/antagonists & inhibitors, Humans

Developments in small-molecule soluble epoxide hydrolase inhibitors: synthetic advances and therapeutic applications.

Authors: Wang ZY Dong JY Liang JH

Source: Future medicinal chemistry [Future Med Chem] 2025 Dec; Vol. 17 (23), pp. 2895-2910. Date of Electronic Publication: 2025 Oct 31.

Publication Type: Journal Article; Review

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101511162 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1756-8927 (Electronic) Linking ISSN: 17568919 NLM ISO Abbreviation: Future Med Chem Subsets: MEDLINE

MeSH Terms: Epoxide Hydrolases*/antagonists & inhibitors , Epoxide Hydrolases*/metabolism , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/chemical synthesis , Enzyme Inhibitors*/therapeutic use , Small Molecule Libraries*/chemistry , Small Molecule Libraries*/pharmacology , Small Molecule Libraries*/chemical synthesis, Humans ; Structure-Activity Relationship ; Solubility ; Animals