Frontiers in Drug Discovery

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

Marcia Yineth Castillo Tarazona
Gian Pietro Miscione

doi 10.3389/fddsv.2025.1731262

1,464 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

Jonathan Y. Chung
Kristen N. Nguyen
Bruce A. Knutson

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1677461

949 views

Specialty Grand Challenge

Published on 05 Jan 2026

Grand challenges in dermatologic drug discovery: four priorities to transform skin disease treatment

Ayman Grada

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1752852

1,307 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

Jennifer Wilson
Emily Su
Nico Valencia
Jarod Le
Emily Liu

Frontiers in Drug Discovery

661 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

Edgar López-López
Julio C. Pardo-Novoa
Carolina Barrientos-Salcedo
Micheel M. Vichi-Ramírez
Carlos M. Cerda-García-Rojas

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1724392

1,062 views

Review

Published on 10 Dec 2025

Exploring deep learning approaches in anticancer drug design: a review of recent advances

Kaoutar M’rhar
Mohamed-Amine Chadi
Hajar Mousannif

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1713308

1,778 views

Original Research

Accepted on 09 Dec 2025

Multivalent display of membrane proteins using HIV1-Gag VLPs

Neha A. Bhat
Nicholas Dunn
Xiaodi Yu
Matthew DuPrie
Supratik Dutta
Matt McLean
Micheal D. Feldkamp
Jacqueline Kratch
Mandeep K. Mann
Simin Rahighi

Frontiers in Drug Discovery

348 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

Amina Jega Yusuf
Abdul-Rahman Abdullahi Alpha
Mustapha Salihu
Jamila Aminu
Naz Mina Mert Sahin
Kemal Yelekçi
Abdullahi Ibrahim Uba
Mustapha Umar Imam

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1635697

969 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

Robert M. Geiger
Carlos Serna
Bhavya Bhardwaj
Tromondae K. Feaster
Ksenia Blinova

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1679626

1,731 views
3 citations

Original Research

Published on 17 Sep 2025

Influence of divalent metal ions on gelation of a short heterochiral peptide

Giulio Pota
Daniele Florio
Luca Cimmino
Paolo Antonio Netti
Valeria Panzetta
Daniela Marasco
Sara La Manna

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1673051

1,428 views

Original Research

Published on 10 Sep 2025

Bioinformatics-driven identification and prioritization of PTSD targets based on published multi-omic data

Mark Zervas
Allyson Gage
Magali Haas

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1613261

2,090 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

Wei Zhang
Yueyang Zhang
Yanli Wang
Changning Wang
Can Zhang

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1662691

4,347 views
1 citation

Opinion

Published on 25 Aug 2025

On the biologically relevant chemical space: BioReCS

José L. Medina-Franco
Edgar López-López
Juan F. Avellaneda-Tamayo
William J. Zamora

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1674289

3,793 views
3 citations

Mini Review

Published on 26 Jun 2025

AI-driven innovation in antibody-drug conjugate design

Heather A. Noriega
Xiang Simon Wang

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1628789

11,099 views
10 citations

Editorial

Published on 10 Jun 2025

Editorial: Pharmacokinetics modeling in the Artificial Intelligence Era

Simone Brogi
Patric Schyman
Vishal B. Siramshetty

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1636070

2,228 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

Archana Shrestha
Md Anamul Haque
Prajesh Shrestha
Margarita Lamprou
Seetharama D. Jois
Constantinos M. Mikelis
George Mattheolabakis

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1584801

2,453 views

Editorial

Published on 04 Jun 2025

Editorial: Enhancing drug discovery through structure-based design and computational techniques

Rajesh Kumar Pathak
Dev Bukhsh Singh
Binh P. Nguyen

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1632015

2,374 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

Alberto Alfonso Pimentel-Rentería
David Francisco Cantú de León
Eliseo Neftalí De la Cruz
David Suárez
Manuel Rodulfo Segura
José Gustavo Núñez
Livan Delgado-Roche

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1591991

1,965 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

Davood Gheidari
Morteza Mehrdad
Mahan Etedali

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1525533

3,582 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

Joseph S. Anderson
Jill L. Silverman
Alyse L. Lodigiani
Camilla M. Barbaduomo
Julie R. Beegle

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1545391

2,652 views

Editorial

Published on 20 Feb 2025

Editorial: Exploring drug development with single cell omics analytics and stem cell-based disease models

Linheng Li
Fuchou Tang
Hongkui Deng

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1561985

1,735 views

Perspective

Published on 19 Feb 2025

Perspective: How complex in vitro models are addressing the challenges of predicting drug-induced liver injury

K. Taylor
R. Ram
L. Ewart
C. Goldring
G. Russomanno
G. P. Aithal
T. Kostrzewski
C. Bauch
J. M. Wilkinson
S. Modi

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1536756

5,854 views
5 citations

Review

Published on 29 Jan 2025

Non-enzymatic protein targeting agents as a promising strategy for cancer treatment

Madison Ambrose
Jeremy Lee
Aleem Syed
Zamal Ahmed
Guang Peng

Frontiers in Drug Discovery

doi 10.3389/fddsv.2025.1520734

6,198 views

23 Publications

volumes

Enhancing structure-based virtual screening of MDM2–p53 inhibitors: a benchmark of machine learning vs. traditional docking scoring functions

Dual RNA polymerase I inhibition with CX-5461 and BMH-21 synergizes in breast cancer by activating p53-dependent stress

Grand challenges in dermatologic drug discovery: four priorities to transform skin disease treatment

Across pre-clinical and clinical platforms, approved and investigational psychiatric drugs share pathways and associate with similar molecular functions

A network-based protocol to prioritize compounds for biological testing: discovery of Anti-Staphylococcus aureus cacalol derivatives

Exploring deep learning approaches in anticancer drug design: a review of recent advances

Multivalent display of membrane proteins using HIV1-Gag VLPs

Integrated in vivo and in silico evaluation of antimalarial compounds from Vernonia ambigua leaves identified by GC-MS profiling

Towards human cardiac new approach methodologies (NAMs) to evaluate the combination of repolarization prolonging and shortening drugs: a pilot study

Influence of divalent metal ions on gelation of a short heterochiral peptide

Bioinformatics-driven identification and prioritization of PTSD targets based on published multi-omic data

Advancing histone deacetylase 6 (HDAC6) as a promising therapeutic target for Alzheimer’s disease: from molecular insights to clinical prospects

On the biologically relevant chemical space: BioReCS

AI-driven innovation in antibody-drug conjugate design

Editorial: Pharmacokinetics modeling in the Artificial Intelligence Era

Dual upregulation of miRNA-143 and miRNA-506 in non-small cell lung cancer inhibits proliferation, motility, migration, and tumor growth

Editorial: Enhancing drug discovery through structure-based design and computational techniques

Safety and tolerability of a bevacizumab biosimilar (Effivia®) in adult Mexican patients with cancer: a multicenter, observational, prospective clinical study

Identification of natural compounds as potential inhibitors of Interleukin-23: virtual screening, ADMET, drug-likeness, and dynamic simulation

Transduction of hematopoietic stem and progenitor cells by an MECP2 lentiviral vector improves Rett syndrome phenotypes

Editorial: Exploring drug development with single cell omics analytics and stem cell-based disease models

Perspective: How complex in vitro models are addressing the challenges of predicting drug-induced liver injury

Non-enzymatic protein targeting agents as a promising strategy for cancer treatment