Review
Accepted on 29 Dec 2025
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
- 363 views
Type at least 3 characters
67 articles
articles
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
- 400 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
- 623 views
Original Research
Accepted on 02 Dec 2025
KG2ML: Integrating Knowledge Graphs and Positive Unlabeled Learning for Identifying Disease-Associated Genes
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
- 183 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
- 1,361 views
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
- 1,081 views
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
- 968 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
- 1,592 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
- 1,524 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
- 2,023 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
- 2,097 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
- 1,334 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
- 2,693 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
- 2,673 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
- 1,781 views
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
- 1,849 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
- 2,455 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
- 1,993 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
- 2,261 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
- 3,315 views
- 1 citation
Original Research
Published on 13 May 2025
Exploiting subtractive genomics to identify novel drug targets and new immunogenic candidates against Bordetella pertussis: an in silico study
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1570054
- 2,792 views
Original Research
Published on 06 May 2025
Computational drug discovery of potential 5α-reductase phytochemical inhibitors and hair growth promotion using in silico techniques
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1570101
- 8,309 views
- 3 citations
Original Research
Published on 17 Apr 2025
Biomarker-driven drug repurposing for NAFLD-associated hepatocellular carcinoma using machine learning integrated ensemble feature selection
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1522401
- 4,316 views
- 1 citation
Original Research
Published on 15 Apr 2025
Identification of novel drug targets and small molecule discovery for MRSA infections
in Drug Discovery in Bioinformatics
Frontiers in Bioinformatics
doi 10.3389/fbinf.2025.1562596
- 4,167 views
- 1 citation