{"entity": "journal", "iuid": "f0716fe9b10348efa7453adfa3697cfa", "timestamp": "2026-07-19T19:25:09.501Z", "links": {"self": {"href": "https://publications.scilifelab.se/journal/Nat%20Rev%20Drug%20Discov.json"}, "display": {"href": "https://publications.scilifelab.se/journal/Nat%20Rev%20Drug%20Discov"}}, "title": "Nat Rev Drug Discov", "issn": "1474-1784", "issn-l": "1474-1776", "publications_count": 3, "publications": [{"entity": "publication", "iuid": "fd6b36b9b7954640a91eda229981e7a4", "links": {"self": {"href": "https://publications.scilifelab.se/publication/fd6b36b9b7954640a91eda229981e7a4.json"}, "display": {"href": "https://publications.scilifelab.se/publication/fd6b36b9b7954640a91eda229981e7a4"}}, "title": "Computational drug repurposing: approaches, evaluation of in silico resources and case studies.", "authors": [{"family": "Tanoli", "given": "Ziaurrehman", "initials": "Z", "orcid": "0000-0003-2435-9862", "researcher": {"href": "https://publications.scilifelab.se/researcher/313c5ea401cf4c178d088e587d9f288f.json"}}, {"family": "Fern\u00e1ndez-Torras", "given": "Adri\u00e0", "initials": "A"}, {"family": "\u00d6zcan", "given": "Umut Onur", "initials": "UO", "orcid": "0000-0002-7317-1682", "researcher": {"href": "https://publications.scilifelab.se/researcher/263b2b77f07a473db81d4e1bf628bbaf.json"}}, {"family": "Kushnir", "given": "Aleksandr", "initials": "A"}, {"family": "Nader", "given": "Kristen Michelle", "initials": "KM", "orcid": "0009-0002-1068-0831", "researcher": {"href": "https://publications.scilifelab.se/researcher/28b9535c8a1a41fcb2b50677151dc92c.json"}}, {"family": "Gadiya", "given": "Yojana", "initials": "Y", "orcid": "0000-0002-7683-0452", "researcher": {"href": "https://publications.scilifelab.se/researcher/dda537ad863640fbbe1b3e85e05092bb.json"}}, {"family": "Fiorenza", "given": "Laura", "initials": "L"}, {"family": "Ianevski", "given": "Aleksandr", "initials": "A", "orcid": "0000-0002-7780-482X", "researcher": {"href": "https://publications.scilifelab.se/researcher/438e80f3668b41c08d75618faabb285d.json"}}, {"family": "V\u00e4h\u00e4-Koskela", "given": "Markus", "initials": "M", "orcid": "0000-0001-7764-7820", "researcher": {"href": "https://publications.scilifelab.se/researcher/e5c55c58b0f64591878356ab8c1a3ff4.json"}}, {"family": "Miihkinen", "given": "Mitro", "initials": "M", "orcid": "0000-0001-6822-3647", "researcher": {"href": "https://publications.scilifelab.se/researcher/782f144499194829a67e53d90af357bd.json"}}, {"family": "Seemab", "given": "Umair", "initials": "U"}, {"family": "Leinonen", "given": "Henri", "initials": "H", "orcid": "0000-0002-0388-832X", "researcher": {"href": "https://publications.scilifelab.se/researcher/08beef151ecb47978cc70e49d428d039.json"}}, {"family": "Seashore-Ludlow", "given": "Brinton", "initials": "B"}, {"family": "Tampere", "given": "Marianna", "initials": "M"}, {"family": "Kalman", "given": "Adelinn", "initials": "A"}, {"family": "Ballante", "given": "Flavio", "initials": "F", "orcid": "0000-0002-4831-3423", "researcher": {"href": "https://publications.scilifelab.se/researcher/20429d2a46f4479a9c262875794a3a9d.json"}}, {"family": "Benfenati", "given": "Emilio", "initials": "E"}, {"family": "Saunders", "given": "Gary", "initials": "G"}, {"family": "Potdar", "given": "Swapnil", "initials": "S"}, {"family": "G\u00f3mez Garc\u00eda", "given": "Ismael", "initials": "I"}, {"family": "Garc\u00eda-Serna", "given": "Ricard", "initials": "R"}, {"family": "Talarico", "given": "Carmine", "initials": "C"}, {"family": "Beccari", "given": "Andrea Rosario", "initials": "AR", "orcid": "0000-0001-6830-2695", "researcher": {"href": "https://publications.scilifelab.se/researcher/a834a85c9dfd4cd69fe9578b05bfdb92.json"}}, {"family": "Schaal", "given": "Wesley", "initials": "W"}, {"family": "Polo", "given": "Andrea", "initials": "A"}, {"family": "Costantini", "given": "Susan", "initials": "S"}, {"family": "Cabri", "given": "Enrico", "initials": "E"}, {"family": "Jacobs", "given": "Marc", "initials": "M", "orcid": "0000-0003-4153-3930", "researcher": {"href": "https://publications.scilifelab.se/researcher/2057ce10fc4a40c28d6c99ddbca2da22.json"}}, {"family": "Saarela", "given": "Jani", "initials": "J"}, {"family": "Budillon", "given": "Alfredo", "initials": "A", "orcid": "0000-0002-6330-6053", "researcher": {"href": "https://publications.scilifelab.se/researcher/6aa51cfd215b44aaa4fd2c262c84c13a.json"}}, {"family": "Spjuth", "given": "Ola", "initials": "O", "orcid": "0000-0002-8083-2864", "researcher": {"href": "https://publications.scilifelab.se/researcher/605dbd52684d4e54ae4150a9933abe6e.json"}}, {"family": "\u00d6stling", "given": "P\u00e4ivi", "initials": "P"}, {"family": "Xhaard", "given": "Henri", "initials": "H"}, {"family": "Quintana", "given": "Jordi", "initials": "J"}, {"family": "Mestres", "given": "Jordi", "initials": "J", "orcid": "0000-0002-5202-4501", "researcher": {"href": "https://publications.scilifelab.se/researcher/0b0fe21b221a4723bff492055fa6061b.json"}}, {"family": "Gribbon", "given": "Philip", "initials": "P"}, {"family": "Ussi", "given": "Anton E", "initials": "AE"}, {"family": "Lo", "given": "Donald C", "initials": "DC"}, {"family": "de Kort", "given": "Martin", "initials": "M", "orcid": "0000-0002-7264-5436", "researcher": {"href": "https://publications.scilifelab.se/researcher/016a2e73e1254b84aeb5898e8a026f1b.json"}}, {"family": "Wennerberg", "given": "Krister", "initials": "K", "orcid": "0000-0002-1352-4220", "researcher": {"href": "https://publications.scilifelab.se/researcher/8a447e220e144c63a907f9c824ccc9da.json"}}, {"family": "Fratelli", "given": "Maddalena", "initials": "M", "orcid": "0000-0002-1769-3427", "researcher": {"href": "https://publications.scilifelab.se/researcher/a159ec26402b411dac5d5081a64f36cb.json"}}, {"family": "Carreras-Puigvert", "given": "Jordi", "initials": "J"}, {"family": "Aittokallio", "given": "Tero", "initials": "T", "orcid": "0000-0002-0886-9769", "researcher": {"href": "https://publications.scilifelab.se/researcher/47e0db692d16440ea6779948c188713a.json"}}], "type": "journal article", "published": "2025-03-18", "journal": {"title": "Nat Rev Drug Discov", "issn": "1474-1784", "issn-l": "1474-1776"}, "abstract": "Repurposing of existing drugs for new indications has attracted substantial attention owing to its potential to accelerate drug development and reduce costs. Hundreds of computational resources such as databases and predictive platforms have been developed that can be applied for drug repurposing, making it challenging to select the right resource for a specific drug repurposing project. With the aim of helping to address this challenge, here we overview computational approaches to drug repurposing based on a comprehensive survey of available in silico resources using a purpose-built drug repurposing ontology that classifies the resources into hierarchical categories and provides application-specific information. We also present an expert evaluation of selected resources and three drug repurposing case studies implemented within the Horizon Europe REMEDi4ALL project to demonstrate the practical use of the resources. This comprehensive Review with expert evaluations and case studies provides guidelines and recommendations on the best use of various in silico resources for drug repurposing and establishes a basis for a sustainable and extendable drug repurposing web catalogue.", "doi": "10.1038/s41573-025-01164-x", "pmid": "40102635", "labels": {"Chemical Biology Consortium Sweden": "Collaborative"}, "xrefs": [{"db": "pii", "key": "10.1038/s41573-025-01164-x"}], "notes": [], "created": "2025-06-04T12:37:06.655Z", "modified": "2025-10-17T13:04:26.771Z"}, {"entity": "publication", "iuid": "a982dd06b6af45ef8a679a47035bc3d5", "links": {"self": {"href": "https://publications.scilifelab.se/publication/a982dd06b6af45ef8a679a47035bc3d5.json"}, "display": {"href": "https://publications.scilifelab.se/publication/a982dd06b6af45ef8a679a47035bc3d5"}}, "title": "ENABLE: an engine for European antibacterial drug discovery and development.", "authors": [{"family": "Olliver", "given": "Marie", "initials": "M"}, {"family": "Griestop", "given": "Laura", "initials": "L"}, {"family": "Hughes", "given": "Diarmaid", "initials": "D"}, {"family": "Belfrage", "given": "Anna Karin", "initials": "AK"}, {"family": "Gising", "given": "Johan", "initials": "J"}, {"family": "Baranczewski", "given": "Pawel", "initials": "P"}, {"family": "Vingsbo Lundberg", "given": "Carina", "initials": "C"}, {"family": "Karl\u00e9n", "given": "Anders", "initials": "A"}], "type": "journal article", "published": "2021-06-00", "journal": {"title": "Nat Rev Drug Discov", "issn": "1474-1784", "volume": "20", "issue": "6", "pages": "407-408", "issn-l": "1474-1776"}, "abstract": null, "doi": "10.1038/d41573-021-00074-y", "pmid": "33948003", "labels": {"Drug Discovery and Development": "Collaborative"}, "xrefs": [{"db": "pii", "key": "10.1038/d41573-021-00074-y"}], "notes": [], "created": "2021-12-05T17:10:35.266Z", "modified": "2025-10-17T13:05:07.882Z"}, {"entity": "publication", "iuid": "3a9278be2616483390eecd2918abebfa", "links": {"self": {"href": "https://publications.scilifelab.se/publication/3a9278be2616483390eecd2918abebfa.json"}, "display": {"href": "https://publications.scilifelab.se/publication/3a9278be2616483390eecd2918abebfa"}}, "title": "Biophysics in drug discovery: impact, challenges and opportunities.", "authors": [{"family": "Renaud", "given": "Jean-Paul", "initials": "JP"}, {"family": "Chung", "given": "Chun-Wa", "initials": "CW"}, {"family": "Danielson", "given": "U Helena", "initials": "UH"}, {"family": "Egner", "given": "Ursula", "initials": "U"}, {"family": "Hennig", "given": "Michael", "initials": "M"}, {"family": "Hubbard", "given": "Roderick E", "initials": "RE"}, {"family": "Nar", "given": "Herbert", "initials": "H"}], "type": "journal article", "published": "2016-10-00", "journal": {"volume": "15", "issn": "1474-1784", "issue": "10", "pages": "679-698", "title": "Nat Rev Drug Discov", "issn-l": "1474-1776"}, "abstract": "Over the past 25 years, biophysical technologies such as X-ray crystallography, nuclear magnetic resonance spectroscopy, surface plasmon resonance spectroscopy and isothermal titration calorimetry have become key components of drug discovery platforms in many pharmaceutical companies and academic laboratories. There have been great improvements in the speed, sensitivity and range of possible measurements, providing high-resolution mechanistic, kinetic, thermodynamic and structural information on compound-target interactions. This Review provides a framework to understand this evolution by describing the key biophysical methods, the information they can provide and the ways in which they can be applied at different stages of the drug discovery process. We also discuss the challenges for current technologies and future opportunities to use biophysical methods to solve drug discovery problems.", "doi": "10.1038/nrd.2016.123", "pmid": "27516170", "labels": {"Drug Discovery and Development": "Technology development"}, "xrefs": [{"db": "pii", "key": "nrd.2016.123"}], "notes": "Biophysical Screening and Characterization", "created": "2017-05-03T12:59:34.341Z", "modified": "2025-10-17T13:05:09.187Z"}], "created": "2017-05-09T09:12:42.765Z", "modified": "2020-11-27T13:14:03.869Z"}