Specialty Grand Challenge
Accepted on 04 Feb 2026
Revisiting the Grand Challenges: The Road Travelled and Ahead at the Frontiers of Computer-Aided Drug Design
Frontiers in Drug Discovery
155 Publications
volumes
Volume 6 - 2026
Brief Research Report
Published on 28 Jan 2026
Structure-based virtual screening for TRPM8 modulators
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1770904
- 596 views
Mini Review
Accepted on 07 Jan 2026
Standardization of canine infections for the development of antileishmanial drugs
Frontiers in Drug Discovery
- 178 views
Volume 5 - 2025
Original Research
Published on 16 Jan 2026
Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functions
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1731262
- 1,213 views
Brief Research Report
Published on 05 Jan 2026
Dual RNA polymerase I inhibition with CX-5461 and BMH-21 synergizes in breast cancer by activating p53-dependent stress
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1677461
- 873 views
Specialty Grand Challenge
Published on 05 Jan 2026
Grand challenges in dermatologic drug discovery: four priorities to transform skin disease treatment
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1752852
- 1,191 views
Original Research
Accepted on 26 Dec 2025
Across pre-clinical and clinical platforms, approved and investigational psychiatric drugs share pathways and associate with similar molecular functions
Frontiers in Drug Discovery
- 537 views
Original Research
Published on 10 Dec 2025
A network-based protocol to prioritize compounds for biological testing: discovery of Anti-Staphylococcus aureus cacalol derivatives
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1724392
- 1,000 views
Review
Published on 10 Dec 2025
Exploring deep learning approaches in anticancer drug design: a review of recent advances
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1713308
- 1,637 views
Original Research
Accepted on 09 Dec 2025
Multivalent display of membrane proteins using HIV1-Gag VLPs
Frontiers in Drug Discovery
- 317 views
Study Protocol
Published on 09 Dec 2025
Integrated in vivo and in silico evaluation of antimalarial compounds from Vernonia ambigua leaves identified by GC-MS profiling
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1635697
- 916 views
Original Research
Published on 10 Nov 2025
Towards human cardiac new approach methodologies (NAMs) to evaluate the combination of repolarization prolonging and shortening drugs: a pilot study
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1679626
- 1,631 views
- 1 citation
Original Research
Published on 17 Sep 2025
Influence of divalent metal ions on gelation of a short heterochiral peptide
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1673051
- 1,381 views
Original Research
Published on 10 Sep 2025
Bioinformatics-driven identification and prioritization of PTSD targets based on published multi-omic data
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1613261
- 2,021 views
Perspective
Published on 03 Sep 2025
Advancing histone deacetylase 6 (HDAC6) as a promising therapeutic target for Alzheimer’s disease: from molecular insights to clinical prospects
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1662691
- 4,254 views
- 1 citation
Opinion
Published on 25 Aug 2025
On the biologically relevant chemical space: BioReCS
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1674289
- 3,709 views
- 3 citations
Mini Review
Published on 26 Jun 2025
AI-driven innovation in antibody-drug conjugate design
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1628789
- 10,812 views
- 8 citations
Editorial
Published on 10 Jun 2025
Editorial: Pharmacokinetics modeling in the Artificial Intelligence Era
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1636070
- 2,183 views
- 1 citation
Original Research
Published on 06 Jun 2025
Dual upregulation of miRNA-143 and miRNA-506 in non-small cell lung cancer inhibits proliferation, motility, migration, and tumor growth
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1584801
- 2,417 views
Editorial
Published on 04 Jun 2025
Editorial: Enhancing drug discovery through structure-based design and computational techniques
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1632015
- 2,330 views
Original Research
Published on 30 May 2025
Safety and tolerability of a bevacizumab biosimilar (Effivia®) in adult Mexican patients with cancer: a multicenter, observational, prospective clinical study
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1591991
- 1,917 views
Original Research
Published on 15 Apr 2025
Identification of natural compounds as potential inhibitors of Interleukin-23: virtual screening, ADMET, drug-likeness, and dynamic simulation
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1525533
- 3,467 views
- 10 citations
Original Research
Published on 21 Feb 2025
Transduction of hematopoietic stem and progenitor cells by an MECP2 lentiviral vector improves Rett syndrome phenotypes
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1545391
- 2,602 views
Editorial
Published on 20 Feb 2025
Editorial: Exploring drug development with single cell omics analytics and stem cell-based disease models
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1561985
- 1,716 views