FAIR² Data
Published
NutriEpiDB: a database for dietary compounds with epigenetic targets
Del Moral-Morales Aylin · José L. Medina-Franco
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1946880
Library
Articles
Every article on Frontiers is peer reviewed, permanently archived and free to read.
Showing 50 articles
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
Original Research
Published
Virtual screening of phytochemicals against multiple protein targets of Alzheimer’s disease
Samuel Mesfin · Naamah Bloch · Abraham O. Samson
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1922953
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
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
Original Research
Published
Exploratory scaffold hopping strategies led to identification of novel histamine H 3 and H 4 receptor ligands
Flávia B. Lopes · Denise Mönnich · Gustavo A. B. Fernandes · Steffen Pockes · João Paulo S. Fernandes
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1944403
Original Research
Published
Probing the activity of BM212, an antimycobacterial, and its derivatives against multiple life cycle stages of Plasmodium falciparum
Benedetta Salvucci · Mariëtte van der Watt · Chiara Tammaro · Michela Guida · Lucrezia Pantaleo · Janette Reader · Tayla Rabie · Sizwe Tshabalala · Mariska Naude · Natanya Venter · Tyrick Welcome · Erica Erlank · Lizette L. Koekemoer · Mariangela Biava · Lyn-Marié Birkholtz · Giovanna Poce
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1919483
Review
Published
Nipah virus vaccine development: current platforms, preclinical evidence, and clinical translation
Shrabonti Chatterjee · Joydeep Mahata · Athika Firdous · Moh. Royhan Afnani · Rangga Adhi Prastika · Muhammad 'Ahdi Kurniawan · Volta Kellik Setiawan · Farah Arini Subekti · Fara Disa Durry · Sukma Sahadewa · Aswin Rafif Khairullah · Yudhi Nugraha · Tegar Achsendo Yuniarta · Timotius Ivan Hariyanto · Abhishek Singh · Vikash Jakhmola · Nitin Sharma · Abdugani Abdurasulov · Maksim Rebezov · Arif Nur Muhammad Ansori · Rollando Rollando · Arli Aditya Parikesit
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1906594
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
Case Report
Published
Case Report: Pembrolizumab–induced myasthenia gravis with isolated anti-titin antibody positivity after thymectomy for thymoma
Ju Hye Kim · Ji Yeon Chung · Jeong Bin Bong
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1932554
Perspective
Published
Do property cliffs exist? A conceptual analysis of structural changes and molecular properties
Elier E. Abreu-Martínez · David Ramírez-Palma · Gabriel Merino · Karina Martinez-Mayorga
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1899616
Original Research
Published
In silico prediction of the permeability of phytochemicals across the blood-brain barrier
Diogo Carregosa · Iris Moreira · Diogo Rasteiro · Leonardo Vanneschi · Cláudia Nunes dos Santos
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1939611
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
Synthesis of copper oxide nanoparticles using Aloe vera leaf extract and their antibacterial activity against methicillin-resistant Staphylococcus aureus and multi-drug resistant Klebsiella pneumoniae
Anas Mohamed Ali · Ibrahim Garba Wawata · Ritah Nakayinga · Bazil Okello · Vidya Sankarapandian · Mai Abdalla Ali · Ibrahim Ntulume
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1745824
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
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
Mini Review
Published
Minireview Kefir as a source of antimicrobial compounds against bacterial pathogens
Silvia Tenorio-Salgado · Alejandra Sánchez-Canché · Ernesto Perez-Rueda
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1856085
Review
Published
Toward explainable and adaptive artificial intelligence systems for antimicrobial peptide discovery under resistance pressure
Ana Luisa Islas-Ávila · Julián García-Vinuesa · Nicole Soto-García · Michelle Soto-García · Bárbara Gutiérrez-Cárdenas · Alejandro Inostroza-Munoz · Mehdi D. Davari · Leandro Murgas · Roberto Uribe-Paredes · Alicia Martínez-Rebollar · Julieta Sepulveda-Yañez · David Medina-Ortiz
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1820604
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
Original Research
Published
Mapping the otoactive landscape: an LLM-aided extraction of compounds and their targets
Aylin del Moral-Morales · Jean Arguello‐Camarillo · Jesús Yael Castañón Bello · Angélica Chavez-Romero · José L. Medina-Franco · Hugo Nájera · Gerardo Pérez-Hernández
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1834905
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
Original Research
Published
Effectiveness and safety of dupilumab in moderate-to-severe atopic dermatitis: a 24- and 48-week cohort from Colombia
Jhon Bolaños-López · Carlos Bello · Luz. E. Pérez · Farley González · Sergio Londoño · Yuri Torres · Alejandra Toro
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1838972
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
Electrophysiological mechanisms behind the differential cardiotoxicity of chemotherapeutic agents Bortezomib and Carfilzomib
Dario Melgari · Serena Calamaio · Anthony Frosio · Rachele Prevostini · Alessio Malacrida · Luigi Anastasia · Carlo Pappone · Gabriella Nicolini · Guido Cavaletti · Ilaria Rivolta
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1774061
Review
Published
Engineering hope: biomaterial strategies against glioblastoma
Sara Palladino · Lorenzo Emiliano Imbò · Daniela Benigno · Oluwasegun Eric Ajayi · Simone Braccia · Francesca Fasano · Annarita Falanga · Rosa Bellavita · Stefania Galdiero
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1861506
Review
Published
Role of angiotensin-converting enzyme in cognitive aging: evidence from preclinical and clinical studies
Joshua Smith · Prakashkumar Dobariya · Tanvi R. Kadam · Swati S. More
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1855021
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
High-throughput repurposing screen identifies a DHODH inhibitor as a potent antiviral candidate against chikungunya virus
Eliana Castro · Diego Ezequiel Alvarez
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1846068
Perspective
Published
Effectiveness of ozonized oil-based ear drops in patients with external ear canal dermatitis: a prospective observational study
Simone Di Giovanni · Lorenzo Sabatino · Francesco Iafrati · Giovanni Rocco Maria Pericone · Alessandra Petruzzellis · Luigi De Benedetto · Antonio Moffa · Manuele Casale
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1751957
Original Research
Published
Virtual screening and molecular dynamics simulations of cannabinoid receptor 2 agonists as drug candidates for osteoarthritis therapy
Fernanda F. De Souza · Juliana F. Vilachã · Heberth De Paula · Kathia Maria Honorio
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1809420
Review
Published
Sequence-dominant protein therapeutics: mechanistic foundations for efficient biologics development
Sarfaraz K. Niazi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1781560
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
Review
Published
From biosimilars to breakthroughs: regulatory convergence toward evidence-efficient development of monoclonal antibodies
Sarfaraz K. Niazi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1778468
Original Research
Published
Phα1β cardiovascular safety pharmacology using the telemetry system in rats
Celio José Castro Junior · Marcus Vinícius Gomez
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1749055
Review
Published
Bispecific and trispecific antibodies in atopic dermatitis: a review of the emerging clinical pipeline
Gili Amid-Toby · Omar Alani · Christopher G. Bunick
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1766021
Original Research
Published
Optimization of a malachite green–pyrophosphatase assay for the Zika virus RNA-dependent RNA polymerase and preliminary identification of natural product modulators
Vanessa Aitken · Anthony F. T. Moore · Manuel Terrazas-López · Salvador Rodarte · Eda Koculi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1749327
Review
Published
Neuro-regulatory drug discovery (NRGDD): a neural-circuit framework for systemic therapeutic modulation
Sarfaraz K. Niazi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1782364
Review
Published
Beyond GLP-1: underexplored peptide–receptor systems as the next frontier in drug discovery
Sarfaraz K. Niazi
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1792418
Mini Review
Published
Metal-based compounds and Chagas disease treatment: current knowledge and therapeutic perspectives
Vitor Klipel da Silva Bertolini · Jennyfer Castro · Josielle Vieira Fontes · Camilla Abbehausen · Fernanda Ramos Gadelha
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1765208
Original Research
Published
Multivalent display of membrane proteins using HIV-1 Gag VLPs
Neha A. Bhat · Nicholas Dunn · Xiaodi Yu · Matthew DuPrie · Supratik Dutta · Matthew McLean · Micheal D. Feldkamp · Jacqueline Kratch · Mandeep K. Mann · Simin Rahighi · Robert C. Davidson · John B. Leppard · Wan Cheung Cheung · Puneet Khandelwal
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1688204
Original Research
Published
Across preclinical and clinical platforms, approved and investigational psychiatric drugs share pathways and associate with similar molecular functions
Emily Su · Nico Matthew S. Valencia · Jarod Le · Emily Liu · Jennifer L. Wilson
Frontiers in Drug Discovery
doi 10.3389/fddsv.2025.1686789
Specialty Grand Challenge
Published
Revisiting the grand challenges: the road travelled and ahead at the frontiers of computer-aided drug design
José L. Medina-Franco
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1780834
Mini Review
Published
Standardization of canine infections for the development of antileishmanial drugs
A. I. Olías-Molero · M. J. Corral-Caridad · M. D. Jiménez-Antón · M. Mateo-Barrientos · J. Carrión · J. J. Torrado · J. M. Alunda
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1754269
Brief Research Report
Published
Structure-based virtual screening for TRPM8 modulators
Nivya James · Pedro J. Ballester
Frontiers in Drug Discovery
doi 10.3389/fddsv.2026.1770904