Original Research
Accepted on 30 Jan 2026
Generative AI in Drug Repurposing and Biomarker Discovery: A Multimodal Approach
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
- 227 views
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71 articles
articles
Original Research
Accepted on 28 Jan 2026
An Efficient Computational Chemistry Approach to Generating Negative Data for Drug Discovery Pipeline Validation
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
Original Research
Accepted on 28 Jan 2026
Computational Discovery of SARS-CoV-2 viral entry Inhibitors Peptides from Androctonus mauretanicus Scorpion Venom: Molecular Docking and Dynamics Simulations Targeting the Protein Spike S
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
- 329 views
Review
Published on 12 Jan 2026
Recent trends in machine learning and deep learning-based prediction of G-protein coupled receptor-ligand binding affinities
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1712577
- 1,009 views
Original Research
Accepted on 08 Jan 2026
Integrated Experimental and Computational Insights into the Anti-Inflammatory Potential of Flower-Derived Exosome-Like Nanoparticles Targeting the NF-κB Pathway
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
- 242 views
Original Research
Published on 08 Jan 2026
KG2ML: integrating knowledge graphs and positive unlabeled learning for identifying disease-associated genes
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1727953
- 798 views
Original Research
Published on 19 Dec 2025
Network-based insights into miR-30a-5p-mediated regulation and EGCG targeting in triple-negative breast cancer
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1735106
- 956 views
Original Research
Published on 16 Dec 2025
In silico identification of novel natural compounds as potential KIFC1 inhibitors for the therapeutic intervention of triple-negative breast cancer
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1689172
- 1,326 views
Original Research
Published on 02 Dec 2025
Genomics-driven drug repurposing and novel targets identification for sickle cell disease in Saudi patients
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1671626
- 1,920 views
- 1 citation
Original Research
Published on 18 Nov 2025
Food-derived linear vs. rationally designed cyclic peptides as potent TNF-alpha inhibitors: an integrative computational study
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1716375
- 1,738 views
- 1 citation
Original Research
Published on 17 Nov 2025
QSAR-guided discovery of novel KRAS inhibitors for lung cancer therapy
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1663846
- 1,316 views
- 1 citation
Original Research
Published on 17 Nov 2025
Machine learning-guided optimization of triple agonist peptide therapeutics for metabolic disease
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1687617
- 2,185 views
Original Research
Published on 21 Oct 2025
Enhancing drug-target interaction prediction with graph representation learning and knowledge-based regularization
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1649337
- 1,920 views
- 1 citation
Original Research
Published on 30 Sep 2025
Discovering molecules and plants with potential activity against gastric cancer: an in silico ensemble-based modeling analysis
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1642039
- 2,334 views
Original Research
Published on 24 Sep 2025
Computational drug repurposing reveals Alectinib as a potential lead targeting Cathepsin S for therapeutic developments against cancer and chronic pain
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1666573
- 2,465 views
Original Research
Published on 16 Sep 2025
Drug discovery for chemotherapeutic resistance based on pathway-responsive gene sets and its application in breast cancer
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1661601
- 1,581 views
Technology and Code
Published on 08 Sep 2025
PharmacoForge: pharmacophore generation with diffusion models
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1628800
- 3,290 views
Original Research
Published on 26 Aug 2025
Identifying novel therapeutic targets for non-alcoholic fatty liver disease using bioinformatics approaches: from drug repositioning to traditional Chinese medicine
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1613985
- 3,139 views
Brief Research Report
Published on 14 Aug 2025
Precision medicine on a budget in Africa: using existing genetic data to mitigate adverse drug reactions to conventional cancer drugs
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1555637
- 2,039 views
- 1 citation
Original Research
Published on 28 Jul 2025
Computational investigation of potential natural compounds as inhibitors of monkeypox virus cysteine proteinase
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1637207
- 2,106 views
- 1 citation
Original Research
Published on 17 Jul 2025
NfκBin: a machine learning based method for screening TNF-α induced NF-κB inhibitors
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1573744
- 2,733 views
Original Research
Published on 09 Jun 2025
TICTAC: target illumination clinical trial analytics with cheminformatics
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1579865
- 2,230 views
Original Research
Published on 29 May 2025
In silico analysis of Triphala-derived polyphenols as inhibitors of TIR–TIR homodimerization in the inflammatory pathway
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1565700
- 24,132 views
Brief Research Report
Published on 26 May 2025
Quality over quantity: how to get the best results when using docking for repurposing
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1536504
- 3,870 views
- 1 citation