Review
Published
A review on advances in chemical compound toxicology prediction
Ahmed Hagag · Nada A. Elsayed · Ibrahim Abdelbaky
Frontiers in Bioinformatics
doi 10.3389/fbinf.2026.1974935
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Articles
Every article on Frontiers is peer reviewed, permanently archived and free to read.
Showing 66 articles
Original Research
Published
Novel indole derivatives containing a thiosemicarbazide moiety as potential antioxidant agents for fresh beef preservation
Tao Wang · Lingling Xiao · Yanling Ren · Maozhao Wu · Yongfei Liu · Jian Tang · Shoumei Wan · Jing Peng
Frontiers in Chemistry
doi 10.3389/fchem.2026.1994186
Original Research
Published
Establishing standardized evaluation protocols for peptide-target interaction prediction: the PTI-TAPE consensus framework eDelphi
William J. Waldock · Guangshun Wang · Ara Darzi · Cesar de la Fuente-Nunez · Hutan Ashrafian · the PTI-TAPE Consortium Committee
Frontiers in Bioinformatics
doi 10.3389/fbinf.2026.1894725
Original Research
Published
A zebrafish model of NEXMIF-related encephalopathy identified drivers of hyperlocomotion and provides a scalable platform for drug discovery
Beatriz Bernal-Bermúdez · Francisco J. Martínez-Morcillo · Inmaculada Fuentes-Martínez · Alicia Martínez-López · María L. Cayuela · Victoriano Mulero · Diana García-Moreno
Frontiers in Cell and Developmental Biology
doi 10.3389/fcell.2026.1899363
Original Research
Published
Computational identification of candidate biomarkers and compounds associated with skeletal muscle insulin sensitivity improvement mediated by physical activity: an integrative multi-omics and computational chemistry study
Hong Liu · Zicheng Liang · Jun Tan · Chunyun Yuan
Frontiers in Bioinformatics
doi 10.3389/fbinf.2026.1885995
Mini Review
Published
DYRK1A – a gene dose paradox
Ante Plećaš · Gillian Gough · Sandra Kunštek · Mirna Babić · Aoife Murray · Dean Nižetić · Ivan Alić
Frontiers in Cell and Developmental Biology
doi 10.3389/fcell.2026.1963992
Perspective
Published
Advances in enhanced sampling simulations of G-protein-coupled receptors
Keya Joshi · Victor Ayo Adediwura · Yinglong Miao
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1943336
Original Research
Published
Protoberberine alkaloids berberine and palmatine employ Pf Pgh-1 transporter to enter the digestive vacuole and kill the malaria parasite by inhibiting heme biocrystallization
Nekpen Erhunse · Prachi Tomar · Dinkar Sahal · Agam Prasad Singh
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1949463
Review
Published
New insight into Alzheimer’s disease: small molecule-Aβ in the brain transport and peripheral organ clearance
Tianci Ma · Yongyi Li · Yuting Ding · Shijie Liu · Chuanhao Gao · Xiang Li · Zhiqian Tong · Yan Lv
Frontiers in Aging
doi 10.3389/fragi.2026.1921485
Hypothesis and Theory
Published
A pragmatic workflow for integrating large language models into toxicological risk assessment
Arianna Bassan · Alexander Amberg · Maria Letizia Barreca · Paul M. Bradley · Frank Bringezu · Joyce De Paula Souza · Corinne Guicheney · Elena Lo Piparo · Simona Kovarich · Andrey Massarsky · Georgia Maundrill · Lance Molnar · Cristina Parenti · Patricia Parris · Manuela Pavan · John F. Reichard · Ron Steigerwalt · Olga Tcheremenskaia · Kenneth Unice · Christopher J. Waine · Geraldine Whelan · Angela White · Glenn J. Myatt
Frontiers in Toxicology
doi 10.3389/ftox.2026.1877128
Review
Published
Comprehensive insights into molecular techniques and applications for genetic modification and targeted mutagenesis in zebrafish
Nahida Quyoom · Gowhar Iqbal · Lukram Sushil Singh · Shafiya Mushtaq · Showkat Ahmad Dar
Frontiers in Aquaculture
doi 10.3389/faquc.2026.1820777
Perspective
Published
Bioaminergic signaling in parasitic flatworms: a perspective for linking GPCRs to behavior and drug discovery
Erika Bistran · M. Evelyn Carpenter · Daniel J. Sprague
Frontiers in Parasitology
doi 10.3389/fpara.2026.1933406
Original Research
Published
Quadrimodal in vivo assay for detection of adverse neuro-behavioral effects: validation using dextromethorphan
Günther K. H. Zupanc · Abigail L. Zodl · Naya M. Sabha
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1917655
Review
Published
GPCR signaling systems facilitate precision interventions for multi-oncology therapy
Ashley Del Pozo · Mia Pardo · Tabitha Boeringer · Carter J. Craig · Ramzia Sorathia · Madeline Millican · Stuart Maudsley
Frontiers in Systems Biology
doi 10.3389/fsysb.2026.1940022
Systematic Review
Published
Predictive accuracy of peptide–target interaction models in drug discovery: a systematic review and meta-analysis
William J. Waldock · Ahmad Guni · Ara Darzi · Cesar de la Fuente-Nunez · Hutan Ashrafian
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1894745
Review
Published
Quantum computing in drug discovery
Harshraj Gadbail · Rajendra Rewatkar · Nishant Jumde · Mrinal Manker · Pratik Nagre · Sujal Zade
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1815176
Original Research
Published
Second-generation N,N′-disubstituted aliphatic diamines: discovery of potent hits for multi-species leishmaniasis treatment
Alejandro I. Recio-Balsells · Esteban A. Panozzo-Zenere · Elizabeth M. Coser · Bianca A. Ferreira · Adriano Cappellazzo Coelho · Shane R. Wilkinson · Babu L. Tekwani · Guillermo R. Labadie
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1888764
Frontiers in Science Viewpoint
Published
The data that biomedical AI still needs
Benjamin S. Glicksberg
Frontiers in Science
doi 10.3389/fsci.2026.1913108
Frontiers in Science Lead Article
Published
Large language medicine: defining a new paradigm in human health
Ahmad Guni · Wanheng Hu · Jessica Morley · I. Glenn Cohen · Payam Barnaghi · Hutan Ashrafian
Frontiers in Science
doi 10.3389/fsci.2026.1810095
Policy Brief
Published
Towards test guidelines and standards for advanced materials: scientific insights and recommendations from the MACRAMÉ project
Anna Pohl · Daniel Haase · Eric A. J. Bleeker · Samia Ouhajji · Klaus-Michael Weltring · Martin Wiemann · Alberto Katsumiti · Christian Seitz · Govind Gupta · Luis Mauricio Ortiz-Galvez · Tina Buerki-Thurnherr · Peter Wick · Thomas Eckart Exner · Blanca Suarez-Merino · Rayén Mentler · Tommaso Serchi · Katie Reilly · Iseult Lynch · Steffi Friedrichs · Elisabeth Heunisch
Frontiers in Toxicology
doi 10.3389/ftox.2026.1895021
Mini Review
Published
From small molecules to oligonucleotides: artificial intelligence for RNA-targeted drug discovery
Qingwen Chen
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1915343
Review
Published
Molecular mechanisms underlying drug resistance in protozoan parasites: emerging mechanisms and therapeutic perspectives
Kavithma Uduwela · Koshila Ranasinghe
Frontiers in Parasitology
doi 10.3389/fpara.2026.1934996
Review
Published
Metabolomic profiling for the identification of drug targets in trypanosomes
Maura Rojas-Pirela · Diego Andrade-Alviárez · Wilfredo Quiñones · Ana J. Cáceres · Melisa Gualdrón-López · Ariel M. Silber · Paul A. M. Michels
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1907625
Review
Published
A survey of LLMs in drug discovery and precision medicine
Hasi Hays · William J. Richardson
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1854899
Editorial
Published
Editorial: Targeting cancer metabolic reprogramming for cancer therapy
Werner J. Geldenhuys · Haitao M. Ji · Hoang V. Le
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1916506
Original Research
Published
Spectral analysis and AI/ML-based data-driven approaches for enhanced protein conformation selection and prediction in drug discovery
Shivangi Gupta · Vineetha Menon · Jerome Baudry
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1805731
Review
Published
Secreted proteins of Mycobacterium tuberculosis as therapeutic targets for drug discovery
Anthony Musaazi Kaweesa · Divya Tiwari
Frontiers in Tuberculosis
doi 10.3389/ftubr.2026.1736139
Review
Published
Beyond one drug–one target: AI-guided discovery of multi-target antiviral therapeutics
Vrinda Gupta · Sahil Sharma · Vikrant Abbot · Rohit Bhatia · Neeraj Choudhary · Dinesh Kumar
Frontiers in Virology
doi 10.3389/fviro.2026.1853552
Review
Published
Phytochemical interventions in bacterial resistance: plant metabolites as next-generation antibacterial agents
Amin Mahmood Thawabteh · Anwar Ma’ali · Waed Ibdah · Donia Karaman · Rafik Karaman
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1760834
Perspective
Published
Redefining the geography of pharmaceutical innovation: Kelly Chibale as a harbinger for integrated drug discovery in Africa
Fidele Ntie-Kang · Peter Mubanga Cheuka · Richard Kwamla Amewu · Elizabeth V. M. Kigondu · Collen Masimirembwa
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1884834
Correction
Published
Correction: Fundamentals of dermatologic drug discovery
Frontiers Editorial Office
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1939675
Review
Published
Decoding drug resistance and apoptosis in biliary tract cancers using 3D tumor models
Gurpreet Singh Gill · Om Saswat Sahoo · Arnab Nayek · Sajib Kumar Sarkar · Kailash Chand Kurdia · Nidhi Bhardwaj · Chandan J. Das · Saurabh Galodha · Gitanjali Goyal · Subhradip Karmakar · Ruby Dhar
Frontiers in Cell Death
doi 10.3389/fceld.2026.1819303
Mini Review
Published
Phosphorus fluoride exchange (PFEx): a new frontier in bioconjugation, enzyme inhibition, proximity-induced target-binding and fluorescence probes
Vaibhav Gupta · Nibedita Roy · Vaishnavi Newaskar · Sankar K. Guchhait
Frontiers in Chemical Biology
doi 10.3389/fchbi.2026.1879339
Perspective
Published
Modulating the human gut microbiome-host system: a new drug discovery paradigm
Gonzalo Colmenarejo
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1898583
Review
Published
Fundamentals of dermatologic drug discovery
Ayman Grada
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1777138
Mini Review
Published
Computational screening of plant-derived compounds against SARS-CoV-2: methodological trends, limitations, and opportunities
Alejandra Ojeda-Pérez · Rocío Borges-Argáez · Norberto Sánchez-Cruz
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1882806
Review
Published
Physical feasibility gating in early drug discovery: a decision framework for identifying predictable physical failures, with retrospective illustration
Sarfaraz K. Niazi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1799663
Systematic Review
Published
Global burden, economic impact, and management strategies for re-emerging dengue virus infections: a systematic review
Pranjal Vats · Shilpa · Apoorva Gupta · Brijesh Rathi · Mansi Verma
Frontiers in Virology
doi 10.3389/fviro.2026.1878325
Editorial
Published
Editorial: Accelerating antibiotic development from natural products: tackling antimicrobial resistance (AMR)
Sanjib Bhakta · Cynthia Amaning Danquah · RuAngelie Edrada-Ebel · Simon Gibbons
Frontiers in Antibiotics
doi 10.3389/frabi.2026.1898318
Original Research
Published
Essential oil from Artemisia gmelinii extenuates cellular integrity of Sporothrix globosa and its biofilms by steering intracellular ROS and basal ergosterol levels
Acharya Balkrishna · Manisha Kabdwal · Monali Joshi · Yash Varshney · Meenu Tomer · Pardeep Nain · Savita Lochab · Anurag Varshney
Frontiers in Fungal Biology
doi 10.3389/ffunb.2026.1842749
Mini Review
Published
Pairwise learning for molecular property prediction and optimization
Zachary Fralish · Daniel Reker
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1859068
Original Research
Published
Phenotypic profiling of Pathogen Box compounds MMV667494 and MMV028694 in bloodstream-form Trypanosoma brucei brucei
Pearl Ihuoma Akazue · Neils Ben Quashie · Sue Vaughan · Harry P. de Koning · Theresa Manful Gwira
Experimental Biology and Medicine
doi 10.3389/ebm.2026.10979
Original Research
Published
Detection and characterization of functional (side-)effects of diphenhydramine in the central nervous system using a neuro-behavioral assay: proof of concept
Günther K. H. Zupanc · Hyeseo Hong
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1833888
Original Research
Published
Automated ROI detection allows rapid quantification of synaptic activity across tens of thousands of synapses in cell culture
John Carl Begley · Harald Prüss · Paul Turko · Camin Dean
Frontiers in Synaptic Neuroscience
doi 10.3389/fnsyn.2026.1832103
Review
Published
Bioethanol and biobutanol production using algal biomass: pathways and industrial applications
Ruchi Pathania · Pallavi Saxena · Subhasini Sahoo · Anupam Kundu
Frontiers in Fuels
doi 10.3389/ffuel.2026.1805792
Editorial
Published
Editorial: Targeted cancer therapy through metabolic pathways
Prasanna Srinivasan Ramalingam · Md Sadique Hussain · Shreyas Ramchandra Gaikwad · Sivakumar Arumugam
Frontiers in Molecular Medicine
doi 10.3389/fmmed.2026.1842647
Perspective
Published
Artificial intelligence for small-molecule chemical probe design: why drug-centric models may not transfer cleanly
Renzo Carlucci · Exequiel O. J. Porta
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1836983
Mini Review
Published
Training the next-generation of biomedical scientists through artificial intelligence-driven education and research in pharmacology and pharmaceutical sciences
Santosh Kumar · Ritu Karwasra · Weinan Zhou · Jayaraman Seetharaman · Bhupesh Singla
Experimental Biology and Medicine
doi 10.3389/ebm.2026.10988