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Academic Journal

The Millennia-Long Development of Drugs Associated with the 80-Year-Old Artificial Intelligence Story: The Therapeutic Big Bang?

  • Authors : Crouzet A; UMR 8038 CNRS CiTCoM, Team PNAS, Faculté de Pharmacie, Université Paris Cité, 4 Avenue de l'Observatoire, 75006 Paris, France.; W-MedPhys, 128 Rue la Boétie, 75008 Paris, France.

Subjects: Artificial Intelligence* ; Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Humans

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jun 07; Vol. 29 (12). Date of Electronic Publication: 2024 Jun 07.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Small molecule drug discovery targeting the JAK-STAT pathway.

  • Authors : Lv Y; Center for Molecular Biosciences and Non-Communicable Diseases Research, Xi'an University of Science and Technology, Xi'an, Shaanxi 710054, China; Xi'an Amazinggene Co., Ltd, Xi'an, Shaanxi 710026, China.

Subjects: Janus Kinases*/Janus Kinases*/Janus Kinases*/metabolism ; Janus Kinases*/Janus Kinases*/Janus Kinases*/antagonists & inhibitors ; STAT Transcription Factors*/STAT Transcription Factors*/STAT Transcription Factors*/metabolism

  • Source: Pharmacological research [Pharmacol Res] 2024 Jun; Vol. 204, pp. 107217. Date of Electronic Publication: 2024 May 21.Publisher: Elsevier Country of Publication: Netherlands NLM ID: 8907422 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Fragment-based drug discovery and biological evaluation of novel cannabinol-based inhibitors of oxytosis/ferroptosis for neurological disorders.

  • Authors : Liang Z; Cellular Neurobiology Laboratory, The Salk Institute for Biological Studies, 10010 North Torrey Pines Road, La Jolla, CA, 92037, United States. Electronic address: .; Candib A

Subjects: Drug Discovery* ; Cannabinol*/Cannabinol*/Cannabinol*/pharmacology ; Cannabinol*/Cannabinol*/Cannabinol*/analogs & derivatives

  • Source: Redox biology [Redox Biol] 2024 Jun; Vol. 72, pp. 103138. Date of Electronic Publication: 2024 Mar 29.Publisher: Elsevier, B.V Country of Publication: Netherlands NLM ID: 101605639 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Emerging opportunities of using large language models for translation between drug molecules and indications.

  • Authors : Oniani D; Department of Health Information Management, University of Pittsburgh, Pittsburgh, PA, USA.; Hilsman J

Subjects: Artificial Intelligence* ; Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Humans

  • Source: Scientific reports [Sci Rep] 2024 May 10; Vol. 14 (1), pp. 10738. Date of Electronic Publication: 2024 May 10.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Elucidating the semantics-topology trade-off for knowledge inference-based pharmacological discovery.

  • Authors : Sosa DN; Stanford University, Department of Biomedical Data Science, Stanford, CA, USA.; Neculae G

Subjects: Semantics* ; Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Drug Repositioning/Drug Repositioning/Drug Repositioning/methods

  • Source: Journal of biomedical semantics [J Biomed Semantics] 2024 May 01; Vol. 15 (1), pp. 5. Date of Electronic Publication: 2024 May 01.Publisher: Biomed Central Country of Publication: England NLM ID: 101531992 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1480

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Academic Journal

Enhancing generalizability and performance in drug-target interaction identification by integrating pharmacophore and pre-trained models.

  • Authors : Zhang Z; School of Software, Henan University, Kaifeng, Henan Province 475000, China.; He X

Subjects: Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Molecular Docking Simulation ; Proteins/Proteins/Proteins/chemistry

  • Source: Bioinformatics (Oxford, England) [Bioinformatics] 2024 Jun 28; Vol. 40 (Supplement_1), pp. i539-i547.Publisher: Oxford University Press Country of Publication: England NLM ID: 9808944 Publication Model: Print Cited Medium: Internet ISSN:

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Academic Journal

Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery.

  • Authors : Tong X; Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203, China.; University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing, 100049, China.

Subjects: Drug Discovery*/Drug Discovery*/Drug Discovery*/methods ; Deep Learning* ; Phenotype*

  • Source: Nature communications [Nat Commun] 2024 Jun 25; Vol. 15 (1), pp. 5378. Date of Electronic Publication: 2024 Jun 25.Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

AlphaFold2 structures guide prospective ligand discovery.

  • Authors : Lyu J; Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.; The Evnin Family Laboratory of Computational Molecular Discovery, The Rockefeller University, New York, NY 10065, USA.

Subjects: Drug Discovery*/Drug Discovery*/Drug Discovery*/methods ; Molecular Docking Simulation* ; Receptor, Serotonin, 5-HT2A*/Receptor, Serotonin, 5-HT2A*/Receptor, Serotonin, 5-HT2A*/chemistry

  • Source: Science (New York, N.Y.) [Science] 2024 Jun 21; Vol. 384 (6702), pp. eadn6354. Date of Electronic Publication: 2024 Jun 21.Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 0404511 Publication Model: Print-Electronic

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Academic Journal

EMPDTA: An End-to-End Multimodal Representation Learning Framework with Pocket Online Detection for Drug-Target Affinity Prediction.

  • Authors : Huang D; School of Computer Engineering and Science, Shanghai University, Shanghai 200444, China.; Xie J

Subjects: Drug Discovery*/Drug Discovery*/Drug Discovery*/methods; Proteins/Proteins/Proteins/chemistry ; Proteins/Proteins/Proteins/metabolism

  • Source: Molecules (Basel, Switzerland) [Molecules] 2024 Jun 19; Vol. 29 (12). Date of Electronic Publication: 2024 Jun 19.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Unveiling new genetic insights in rheumatoid arthritis for drug discovery through Taxonomy3 analysis.

Subjects: Arthritis, Rheumatoid*/Arthritis, Rheumatoid*/Arthritis, Rheumatoid*/genetics ; Arthritis, Rheumatoid*/Arthritis, Rheumatoid*/Arthritis, Rheumatoid*/drug therapy ; Genome-Wide Association Study*

  • Source: Scientific reports [Sci Rep] 2024 Jun 19; Vol. 14 (1), pp. 14153. Date of Electronic Publication: 2024 Jun 19.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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