On the Integration of In Silico Drug Design Methods for Drug Repurposing

March-Vila, Eric, Pinzi, Luca, Sturm, Noé, Tinivella, Annachiara, Engkvist, Ola, Chen, Hongming, Rastelli, Giulio·2017·Frontiers in Pharmacology
DOI 10.3389/fphar.2017.00298

Cited by (234)

Items 201–234 of 234

  1. Identification of potential biological targets of oxindole scaffolds via in silico repositioning strategies
    Annachiara Tinivella, Luca Pinzi, Guido Gambacorta, Ian R. Baxendale, Giulio Rastelli · 2022 · F1000Research
  2. COVID-19 Drug Development: Role of Drug Repurposing
    Kenneth Bitrus David, Yusuff Olanrewaju Azeez, Cynthia Chidera Okafor · 2022 · IntechOpen eBooks
  3. Repurposing of Approved Drugs with Potential to Interact with SARS-CoV-2 Receptor
    Abu Ashfaqur Sajib · 2020 · Preprints.org
  4. In Silico Modeling of Drug–Receptor Interactions for Rational Drug Design in Neuropharmacology
    Princy Shrivastav, Bhupendra Gopalbhai Prajapati, Chandni V. Chandarana, Parixit Prajapati · 2025
  5. Personalized Cancer Vaccine
    Mahsa Keshavarz‐Fathi, Nima Rezaei · 2018 · Elsevier eBooks
  6. In silico Screening of Approved Drugs to Describe Novel E. coli DNA Gyrase A Antagonists
    Rakhi Chandran, Archana Ayyagari, Prerna Diwan, Sanjay Mohan Gupta, Vandana Gupta · 2020
  7. Characterization of the tumor-infiltrating immune repertoire in Muscle Invasive Bladder Cancer
    Raquel Benítez Dorta, Kuan Yu, Marina Sirota, Núria Malats, Sílvia Pineda · 2021 · European Urology
  8. Systematic Design and Evaluation of Drug Repurposing-Oriented Alzheimer’s Disease Ontology (Preprint)
    Fang Li, Muhammad “Tuan” Amith, Grace Y Xiong, Jingcheng Du, Yang Xiang, Guozheng Rao, Huy Anh Pham, Cui Tao · 2020
  9. Evaluasi Parameter Fisikokimia, Farmakokinetika, dan Farmakodinamika Senyawa Fisetin Dalam Desain Obat
    Arif Fadlan, Tri Warsito, Sarmoko Sarmoko · 2022 · Akta Kimia Indonesia
  10. Rational computational approaches to predict novel drug candidates against leishmaniasis
    Christian Bustamante, Carlos Muskus, Rodrigo Ochoa · 2022 · Annual reports in medicinal chemistry
  11. QSAR modeling and molecular docking studies on benzimidazole derivatives as anticancer agents
    Hoang-Phuc Nguyen, Thi‐Kim‐Chi Huynh, Khac‐Minh Thai, Thi‐Kim‐Dung Hoang · 2022 · Vietnam Journal of Science and Technology/Science and Technology
  12. The Emergence of a Pharma Repurposing Ecosystem: Evidence of a New Innovation Strategy?
    James G. Barlow, Pierpaolo Andriani, Dimitrios Spyridonidis · 2023 · SSRN Electronic Journal
  13. Virtual Screening for Promising Kinetic Stabilizers of Light Chains in Immunoglobulin Light Chain Amyloidosis Through Drug Repurposing
    Jonas Jeppesen, Casper Steinmann · 2023 · ChemRxiv
  14. Comparative Therapeutic Approaches for Hepatocellular Carcinoma-A Concise Review
    Akanksha Dubey, Sivaraman Jayanthi · 2023 · Research Journal of Pharmacy and Technology
  15. Applications of Molecular Docking Techniques in Repurposing of Drug
    Ajay Kumar Shukla, Joohee Pradhan · 2024 · Biomedical engineering
  16. Modern Computational Intelligence Based Drug Repurposing for Cancer
    Roja Rani Budha, Nikhat Khan, Saba Khan, Esha S. Attar, GSN Koteswara Rao · 2025 · Springer eBooks
  17. Análise da seletividade de inibidores dipeptidil nitrilas: validando a especificidade por cisteíno proteases
    Elda Teresa Mejía Rozo · 2025
  18. Literature data-based de novo candidates for drug repurposing
    Xianglong Liang, Jiang Xin, Yifang Ma · 2025 · BMC Bioinformatics
  19. Recent Advances in In-Silico Drug Repurposing: Leveraging Computational Tools for Enhanced Therapeutic Discovery
    Jaimini Patoliya, Khushali Thaker, Rushikesh G. Joshi · 2025 · BENTHAM SCIENCE PUBLISHERS eBooks
  20. From Code to Cure: Computational Strategies in Drug Repurposing
    K. P. Sijina, G. K. Rajanikant · 2025 · Springer handbooks
  21. Drug Repurposing for Cardioprotective Therapy
    Swarnima Negi, Krishna Jadhav, Raghuraj Singh, Agrim Jhilta, Rahul K. Verma · 2026 · Springer eBooks
  22. QSAR-Based Studies for Drug Repurposing
    Gul Naz Fatima, Hera Fatma, Shailendra K. Saraf · 2026 · Springer eBooks
  23. Selectivity analysis of dipeptidyl nitrile inhibitors: validating specificity for cysteine proteases
    Elda Teresa Mejía Rozo · 2025 · LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)
  24. Drug Repurposing of Aspirin and Metformin with Special Reference to Colorectal Cancer Mitigation
    Pratik Talukder, Arundhuti Mukherjee, Baishakhi Sinha, Meghna Mishra, Suravi Datta, Snehika Sengupta · 2026 · BENTHAM SCIENCE PUBLISHERS eBooks
  25. Old molecules, new hope: A scoping review and bibliometric analysis of drug repurposing for lung cancer
    Wellington Martins de Carvalho Ragassi, Fernando Miguel Stelmach Alves, Raul Edison Luna Lazo, Fernanda Stumpf Tonin, Roberto Pontarolo, Marcel Henrique Marcondes Sari, Luana Mota Ferreira · 2026 · Chemico-Biological Interactions
  26. molIEreVIS: exploring and interpreting the evidence behind drug repurposing predictions
    Amal Alnouri, Andreas Hinterreiter, Christian Steinparz, Labinot Bajraktari, Sebastian Burgstaller-Muehlbacher, Markus Johann Bauer, Gregorio Alanis‐Lobato, Marc Streit · 2026 · Frontiers in Bioinformatics
  27. AI-Assisted Drug Repurposing: A Bibliometric Review of Algorithms and Translational Trends
    Anna Kowalska, Piotr Nowak, Tomasz Zielinski, Katarzyna Mazur · 2025 · Pharmacophore
  28. Mechanistic insights into lamivudine-mediated inhibition of Plasmodium falciparum plasmepsin II catalytic activity
    Sadaf Fatima Syed, Sinjan Choudhary · 2026 · New Journal of Chemistry
  29. Molecular Docking Analysis Quercetin of Phoenix dactylifera L activity, Against Human 14-3-3 Isoforms: A Promising Approach for Cervical Cancer Treatment
    Sri Wahyuni Gayatri, Rosdiana Natzir, Rusdina Bte Ladju, Suryani As’ád, Nasrudin Andi Mappaware, Brahmana Askandar · 2026 · Research Journal of Pharmacy and Technology
  30. A Combined Chemoinformatics- and Machine Learning-Based Approach Identifies Chlormidazole as a Drug Repurposing Candidate against Aggressive Prostate Cancer
    Leonardo Bernal, Luca Pinzi, Tommaso Martinelli, Arianna Rinaldi, Isabella Piccinini, Silvia Belluti, Nicolò Bisi, Carol Imbriano, Giulio Rastelli · 2026 · Journal of Medicinal Chemistry
  31. AI-driven drug design: a comprehensive review
    Zuojun Dong, Bingchao Shou, Jianhua Chen, Hui Fang, Shuaijun Wu, Yu Zhang, Chaojun Wang, Guojun Sun, Yuehua Wan · 2026 · Journal of Computer-Aided Molecular Design
  32. Drug Repurposing in Polycystic Ovary Syndrome: Bridging Metabolic, Endocrine, and Reproductive Therapeutics
    Vandhana Vijayakumar, Thirumalaikumaran Rathinam · 2026 · SN Comprehensive Clinical Medicine
  33. BindingDB Entry 50018286: Molecular hybrids: A five-year survey on structures of multiple targeted hybrids of protein kinase inhibitors for cancer therapy.
    BindingDB · 2024 · UC San Diego
  34. The evolution of therapeutics: A comparative review of small-molecule drugs and RNA-based medicines
    Shubham Anand Raj, Archana Mahadev Rao · 2026 · Next Nanotechnology