Skip to content
Log in
Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

AI-Driven Computational Design of Peptide-Based WWP1 Inhibitors as Promising Therapeutic Agents Against Breast Cancer, Including Triple-Negative Subtype

E. M. A. Fassi Sara Mathlouthi E. Maspero Edoardo Sisti Giulia Tamboia G. de Vita F. Forlani Simona Polo Alessandro Gori Kaliroi Peqini Sara Pellegrino Gabriella Roda Jacopo Sgrignani Andrea Cavalli L. De Cola Mariangela Garofalo G. Grazioso
Aug 2026 · bioRxiv · 0 citations · 63 references
Biology

TL;DR

WI23-B is highlighted as a promising lead peptide with potent WWP1 inhibitory activity and synergistic antiproliferative effects when combined with PI3K inhibitors, and has the potential to reshape therapeutic strategies for BC and TNBC by enabling more effective and less toxic treatment regimens.

DOI Semantic Scholar
View source

Similar papers

Open access Jul 2026

Integrated Computational and Experimental Discovery of Antitumoral Peptides Targeting Luminal A and Triple-Negative Breast Cancer

The combined computational and experimental approach enabled the identification of peptides with selective cytotoxic effects and favorable predicted immunogenic profiles, demonstrating that integrating computational screening with experimental validation is an effective strategy for accelerating the discovery of select...

Isabella Fagundes Gurgel, Ana Carolini Almeida Marcarini, Carlos Marchiorio Lacerda et al. · 0 citations
Open access Aug 2026

Discovery of novel dual-target CDK12/PARP1 inhibitors for the treatment of triple-negative breast cancer.

The dual-target CDK12/PARP1 inhibitor 20b developed herein represents a novel lead molecule for TNBC drug development and exhibited markedly superior antiproliferative effects compared with single-target inhibitors and effectively reduced pSer2-CTD and PAR levels in TNBC cells.

Zhi-Jian Zhong, Miao Sun, Zhi-Wen Luo et al. · 0 citations
Sep 2026

Conformation-driven design, synthesis and biological evaluation of novel PAK1 inhibitors that downregulate PD-L1 for triple-negative breast cancer therapy.

The design, synthesis, and biological evaluation of a series of novel PAK1 inhibitors guided by a conformation-driven optimization strategy establish ZMF-28 as a promising therapeutic candidate for TNBC and highlight the value of conformation-guided design in kinase inhibitor discovery.

Hong-Lei Bao, Yu-Pei Lai, Xi Zhao et al. · 0 citations
Open access Aug 2026

Computational identification and evaluation of Adenium obesum phytochemicals as potential EGFR inhibitors for targeted therapy against non-small-cell lung cancer

The results identify Cardenolide as a computationally prioritized candidate with favorable predicted EGFR-binding characteristics, structural stability, and physicochemical and toxicity profiles and illustrate the potential of Adenium obesum phytochemicals as a source of candidate EGFR-targeting compounds for future NS...

Md. Naziur Rahman, Abu Yousuf Hossin, S. Talukder et al. · 0 citations
Open access 2026

AI-assisted design and virtual profiling of targeted degraders for pancreatic cancer therapy via PROTAC technology.

Pancreatic cancer remains one of the most lethal malignancies because of late diagnosis, aggressive progression, therapy resistance, and limited effective treatment options. Bromodomain-containing protein 4 (BRD4) is an important epigenetic regulator implicated in pancreatic cancer progression through its role in trans...

Bing-Yan Du, Kun-Jie Wang, Zhu Wu et al. · 0 citations
Aug 2026

Targeting EZH2 and EGFR Therapeutic Vulnerabilities of TNBC with a Single Chemical Entity Confers Preclinical Treatment Advantage.

Globally, Triple-Negative Breast Cancer (TNBC) has huge unmet medical need as it has limited targeted therapeutic options. However, it has well-known therapeutic vulnerabilities for selective inhibition of pathways like EGFR, m-TOR, PARP, EZH2, PD1-PDL1 etc. Analysis of publicly available databases clearly suggest that...

Saumya Ranjan Satrusal, Arpita Banerjee, Arpon Biswas et al. · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.