Incorporating AI, in silico, and CRISPR technologies to uncover the potential of repurposed drugs in cancer therapy

Hend Gamal, Eman Mostafa Shoeib, Areej Hajjaj, Heba Elsafy Abdelaziz Abdullah, Esmail H. Elramy, Doaa Ahmed Abd Ellah, Shorouk Mahmoud El-Sayed and Mohammad Fadl Khder

RSC Pharm., 2025, 2, 1019
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Research and analysis of regulatory framework and harmonisation of repurposing

Antonio Ivanov, Violeta Getova-Kolarova and Ilko Getov

PHAR, 2024, 71, 1
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On the momentum toward vaccine self-sufficiency in the BRICS: an integrative review of the role of pharmaceutical entrepreneurship and innovation

Yongqiang Zhang, Hongbo Li, Xinglong Xu and Henry Asante Antwi

Front. Public Health, 2023, 11
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Identification of Potential Ligands of the Main Protease of Coronavirus SARS-CoV-2 (2019-nCoV) Using Multimodal Generative Neural-Networks

Syeda Rehana Zia

Fr. Ukr. J. Chem., 2022, 10, 30
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Drug repositioning pipeline integrating community analysis in drug-drug similarity networks and automated ATC community labeling to foster molecular docking analysis

Daiana Colibăşanu, Vlad Groza, Maria Antonietta Occhiuzzi, Fedora Grande, Mihai Udrescu and Lucreția Udrescu

Front. Bioinform., 2025, 5
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The Integration of Nanotechnology, Artificial Intelligence (AI), Machine Learning (ML) and 3D-Bioprinting Approaches for Personalized COVID-19 Treatment

Md. Jasim Uddin, Amol D. Gholap, Tahseen Khan, Amrin Yeasin Proma, Sinthia Masud, Yahya E. Choonara, S. Gowri, Thomas J. Webster and Md. Faiyazuddin

j biomed nanotechnol, 2024, 20, 1759
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Drug Repositioning: A Monetary Stratagem to Discover a New Application of Drugs

Ankur Rohilla and Seema Rohilla

CDDT, 2024, 21
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In silico screening and experimental validation identify riboflavin as an RNA-targeted antiviral against SARS-CoV-2

Chae-Hong Jeong, Yoo Jin Na, Tae Yong Kim, So Young Lee, Jungyeon Kim and Sangmi Ryou

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-16949-8

Interaction of Camptothecin Anticancer Drugs with Ribosomal Proteins L15 and L11: A Molecular Docking Study

Christian Bailly and Gérard Vergoten

Molecules, 2023, 28, 1828
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Drug repurposing for viral cancers: A paradigm of machine learning, deep learning, and virtual screening‐based approaches

Faheem Ahmed, In Suk Kang, Kyung Hwan Kim, Arun Asif, Chethikkattuveli Salih Abdul Rahim, Anupama Samantasinghar, Fida Hussain Memon and Kyung Hyun Choi

Journal of Medical Virology, 2023, 95
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Bioinformatics Perspective of Drug Repurposing

Binita Patel, Brijesh Gelat, Mehul Soni, Pooja Rathaur and Kaid Johar SR

CBIO, 2024, 19, 295
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A comprehensive review on structural and therapeutical insight of Cerebroside sulfotransferase (CST) - An important target for development of substrate reduction therapy against metachromatic leukodystrophy

Nivedita Singh and Anil Kumar Singh

International Journal of Biological Macromolecules, 2024, 258, 128780
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Investigating the effect of SiO2 nanoparticle addition and thickness of face-coverings on COVID-19 protection using molecular dynamics approach

Amirhosein Hadian, Somaye Yaghoubi, Aliakbar Karimipour and HPM Viet

Engineering Analysis with Boundary Elements, 2023, 157, 289
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Repurposing FDA-approved drugs as NLRP3 inhibitors against inflammatory diseases: machine learning and molecular simulation approaches

Vipul Agarwal, Rajesh Haldhar, Abdurahman Hajinur Hirad, Bilal Ahmed, Sang Beom Han, Anugya Gupta, Vinit Raj and Sangkil Lee

Journal of Biomolecular Structure and Dynamics, 2025, 43, 4327
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Target identification by structure-based computational approaches: Recent advances and perspectives

Simona De Vita, Maria Giovanna Chini, Giuseppe Bifulco and Gianluigi Lauro

Bioorganic & Medicinal Chemistry Letters, 2023, 83, 129171
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Green and efficient one-pot three-component synthesis of novel drug-like furo[2,3-d]pyrimidines as potential active site inhibitors and putative allosteric hotspots modulators of both SARS-CoV-2 MPro and PLPro

Hossein Mousavi, Behzad Zeynizadeh and Mehdi Rimaz

Bioorganic Chemistry, 2023, 135, 106390
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Redefining Breast Cancer Care by Harnessing Computational Drug Repositioning

Elena-Daniela Jurj, Daiana Colibășanu, Sabina-Oana Vasii, Liana Suciu, Cristina Adriana Dehelean and Lucreția Udrescu

Medicina, 2025, 61, 1640
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Drug Repurposing for COVID-19: A Review and a Novel Strategy to Identify New Targets and Potential Drug Candidates

Liliana Rodrigues, Renata Bento Cunha, Tatiana Vassilevskaia, Miguel Viveiros and Celso Cunha

Molecules, 2022, 27, 2723
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Pathway2Targets: an open-source pathway-based approach to repurpose therapeutic drugs and prioritize human targets

Mauri Dobbs Spendlove, Trenton M. Gibson, Shaney McCain, Benjamin C. Stone, Tristan Gill and Brett E. Pickett

PeerJ, 2023, 11, e16088
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Hybrid Approach to Identifying Druglikeness Leading Compounds against COVID-19 3CL Protease

Imra Aqeel, Muhammad Bilal, Abdul Majid and Tuba Majid

Pharmaceuticals, 2022, 15, 1333
DOI: 10.3390/ph15111333

Virtual Screening of Artemisia annua Phytochemicals as Potential Inhibitors of SARS-CoV-2 Main Protease Enzyme

Khalid Miandad, Asad Ullah, Kashif Bashir, Saifullah Khan, Syed Ainul Abideen, Bilal Shaker, Metab Alharbi, Abdulrahman Alshammari, Mahwish Ali, Abdul Haleem and Sajjad Ahmad

Molecules, 2022, 27, 8103
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Targeting RdRp of SARS-CoV-2 with De Novo Molecule Generation

Amal Vijay, Venkata Sai Sreyas Adury and Arnab Mukherjee

ACS Appl. Bio Mater., 2024, 7, 609
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