Temat: "Drug Discovery" - OpacWWW

Skocz do pozycji: 1.

Tytuł:: CAT-DTI: cross-attention and Transformer network with domain adaptation for drug-target interaction prediction.
Autorzy:: Zeng X; School of Computer and Software, Shenzhen University, Shenzhen, 518060, China.
Chen W; Marshall Laboratory of Biomedical Engineering, Shenzhen University Medical School, Shenzhen University, Shenzhen, 518055, China. .
Lei B; School of Biomedical Engineering, Shenzhen University, Shenzhen, 518055, China. .; Pokaż więcej
Źródło:: BMC bioinformatics [BMC Bioinformatics] 2024 Apr 02; Vol. 25 (1), pp. 141. Date of Electronic Publication: 2024 Apr 02.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Development*
Drug Discovery*
Drug Interactions ; Amino Acid Sequence ; Amino Acids

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Skocz do pozycji: 2.

Tytuł:: Medium-Sized Ring Expansion Strategies: Enhancing Small-Molecule Library Development.
Autorzy:: Lee H; Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Republic of Korea.
Kim J; Department of Chemistry and Integrative Institute of Basic Science, Soongsil University, Seoul 06978, Republic of Korea.
Koh M; Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Republic of Korea.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2024 Mar 31; Vol. 29 (7). Date of Electronic Publication: 2024 Mar 31.
Typ publikacji:: Journal Article; Review
MeSH Terms:: Drug Discovery*
Manipulation, Osteopathic*
Gene Library ; Cyclization

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Skocz do pozycji: 3.

Tytuł:: Triple Generative Self-Supervised Learning Method for Molecular Property Prediction.
Autorzy:: Xu L; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Xia L; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Pan S; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.
Li Z; College of Computer Science and Technology, Qingdao University, Qingdao 266071, China.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2024 Mar 28; Vol. 25 (7). Date of Electronic Publication: 2024 Mar 28.
Typ publikacji:: Journal Article
MeSH Terms:: Benchmarking*
Drug Discovery*
Animals ; Electric Power Supplies ; Estrus ; Supervised Machine Learning

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Skocz do pozycji: 4.

Tytuł:: GEFormerDTA: drug target affinity prediction based on transformer graph for early fusion.
Autorzy:: Liu Y; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China.
Xing L; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China. .
Zhang L; Department of Computer Science and Technology, Shandong University of Technology, Zibo, 255000, China.
Cai H; Department of Agricultural Engineering and Food Science, Shandong University of Technology, Zibo, 255000, China.
Guo M; Department of Electrical and Information Engineering, Beijing University of Architecture, Beijing, 102616, China.; Pokaż więcej
Źródło:: Scientific reports [Sci Rep] 2024 Mar 28; Vol. 14 (1), pp. 7416. Date of Electronic Publication: 2024 Mar 28.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Discovery*
Drug Repositioning*
Amino Acid Sequence ; Electric Power Supplies ; Learning

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Skocz do pozycji: 5.

Tytuł:: Breaking Bad Proteins-Discovery Approaches and the Road to Clinic for Degraders.
Autorzy:: Bouvier C; Laboratoire de Chimie de Coordination LCC-UPR 8241-CNRS, 31077 Toulouse, France.
Lawrence R; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Cavallo F; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Xolalpa W; Departamento de Ingeniería Celular y Biocatálisis, Instituto de Biotecnología, Universidad Nacional Autónoma de México, Cuernavaca 62209, Morelos, Mexico.
Jordan A; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Hjerpe R; Sygnature Discovery, Bio City, Pennyfoot St., Nottingham NG1 1GR, UK.
Rodriguez MS; Laboratoire de Chimie de Coordination LCC-UPR 8241-CNRS, 31077 Toulouse, France.; Pharmadev, UMR 152, Université de Toulouse, IRD, UT3, 31400 Toulouse, France.; B Molecular, Centre Pierre Potier, Canceropôle, 31106 Toulouse, France.; Pokaż więcej
Źródło:: Cells [Cells] 2024 Mar 26; Vol. 13 (7). Date of Electronic Publication: 2024 Mar 26.
Typ publikacji:: Journal Article; Review
MeSH Terms:: Drug Discovery*
Medical Oncology*
Cytoplasm ; Proteasome Endopeptidase Complex ; Proteolysis ; Ubiquitin

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Skocz do pozycji: 6.

Tytuł:: Towards explainable interaction prediction: Embedding biological hierarchies into hyperbolic interaction space.
Autorzy:: Pogány D; Department of Measurement and Information Systems, Budapest University of Technology and Economics, Budapest, Hungary.
Antal P; Department of Measurement and Information Systems, Budapest University of Technology and Economics, Budapest, Hungary.; Pokaż więcej
Źródło:: PloS one [PLoS One] 2024 Mar 21; Vol. 19 (3), pp. e0300906. Date of Electronic Publication: 2024 Mar 21 (Print Publication: 2024).
Typ publikacji:: Journal Article
MeSH Terms:: Machine Learning*
Drug Discovery*/methods
Drug Development ; Proteins

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Skocz do pozycji: 7.

Tytuł:: Classification of likely functional class for ligand binding sites identified from fragment screening.
Autorzy:: Utgés JS; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.
MacGowan SA; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.
Ives CM; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK.; Department of Chemistry and Hamilton Institute, Maynooth University, Maynooth, Ireland.
Barton GJ; Division of Computational Biology, School of Life Sciences, University of Dundee, Dundee, Scotland, UK. .; Pokaż więcej
Źródło:: Communications biology [Commun Biol] 2024 Mar 13; Vol. 7 (1), pp. 320. Date of Electronic Publication: 2024 Mar 13.
Typ publikacji:: Journal Article
MeSH Terms:: Proteins*/metabolism
Drug Discovery*/methods
Humans ; Ligands ; Binding Sites

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Skocz do pozycji: 8.

Tytuł:: Computational Approaches and Drug Discovery: Where Are We Going?
Autorzy:: Tutone M; Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche (STEBICEF), Università degli Studi di Palermo, Via Archirafi 32, 90123 Palermo, Italy.
Almerico AM; Dipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche (STEBICEF), Università degli Studi di Palermo, Via Archirafi 32, 90123 Palermo, Italy.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2024 Feb 22; Vol. 29 (5). Date of Electronic Publication: 2024 Feb 22.
Typ publikacji:: Editorial
MeSH Terms:: Drug Discovery*
Computational Biology*

Opinia redakcyjna

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Skocz do pozycji: 9.

Tytuł:: A New Drug Discovery Platform: Application to DNA Polymerase Eta and Apurinic/Apyrimidinic Endonuclease 1.
Autorzy:: Das D; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Accelero Biostructures, Inc., San Carlos, CA 94070, USA.
Duncton MAJ; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Georgiadis TM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Pellicena P; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Clark J; Mitchell Cancer Institute and Department of Pharmacology, University of South Alabama, Mobile, AL 36604, USA.
Sobol RW; Mitchell Cancer Institute and Department of Pharmacology, University of South Alabama, Mobile, AL 36604, USA.; Department of Pathology & Laboratory Medicine, Warrant Alpert Medical School & Legorreta Cancer Center, Brown University, Providence, RI 02912, USA.
Georgiadis MM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Department of Biochemistry and Molecular Biology, Indiana University School of Medicine, Indianapolis, IN 46202, USA.
King-Underwood J; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.
Jobes DV; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Mid-Atlantic BioTherapeutics, Inc., Doylestown, PA 18902, USA.
Chang C; Department of BioSciences, Rice University, Houston, TX 77251, USA.
Gao Y; Department of BioSciences, Rice University, Houston, TX 77251, USA.
Deacon AM; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Accelero Biostructures, Inc., San Carlos, CA 94070, USA.
Wilson DM 3rd; XPose Therapeutics, Inc., San Carlos, CA 94070, USA.; Biomedical Research Institute, Hasselt University, 3500 Diepenbeek, Belgium.; Belgium & Boost Scientific, 3550 Heusden-Zolder, Belgium.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2023 Nov 23; Vol. 24 (23). Date of Electronic Publication: 2023 Nov 23.
Typ publikacji:: Journal Article
MeSH Terms:: DNA-Directed DNA Polymerase*/metabolism
Drug Discovery*
Binding Sites ; Endonucleases/metabolism ; Crystallography, X-Ray ; DNA-(Apurinic or Apyrimidinic Site) Lyase/metabolism

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Skocz do pozycji: 10.

Tytuł:: Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.
Autorzy:: Li Z; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.
Huang R; National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD 20892, USA.
Xia M; National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD 20892, USA.
Patterson TA; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.
Hong H; National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, USA.; Pokaż więcej
Źródło:: Biomolecules [Biomolecules] 2024 Jan 05; Vol. 14 (1). Date of Electronic Publication: 2024 Jan 05.
Typ publikacji:: Journal Article; Review
MeSH Terms:: Drug Discovery*
Machine Learning*
Ligands ; Binding Sites ; Quantitative Structure-Activity Relationship

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