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Advances in Natural and Synthetic Anticancer Agents: Mechanistic Insights and...
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Advances in Natural and Synthetic Anticancer Agents: Mechanistic Insights and Translational Pathways

A special issue of Biomedicines (ISSN 2227-9059). This special issue belongs to the section "Cancer Biology and Oncology".

Deadline for manuscript submissions: 30 November 2026 | Viewed by 1989

Special Issue Editor

Dr. Gul-E-Saba Chaudhry

E-Mail Website
Guest Editor
Institute of Climate Adaptation and Marine Biotechnology, Universiti Malaysia Terengganu, Kuala Tereangganu 21030, Malaysia
Interests: cancer drug discovery; nano targeted drug delivery; metal base anti-cancer drugs; marine active compounds; plant active compounds; molecular biology; nutrition; environment

Special Issue Information

Dear Colleagues, 

Natural products and their synthetic derivatives, along with synthetic anticancer compounds, remain pivotal in the discovery of cancer therapies, providing distinctive structural diversity and significant biological activity. The emergence of high-throughput screening platforms, computational modelling, and molecular profiling technologies has significantly enhanced the efficiency and our mechanistic understanding of the identification of novel anticancer drugs. This Special Issue focuses on the identification and advancement of compounds derived from plant and marine sources, as well as metal-based agents and their synthetic counterparts, with a specific emphasis on their modulation of the critical signalling pathways involved in tumor progression, apoptosis, angiogenesis, metastasis, and drug resistance. We welcome the submission of papers that showcase novel screening methodologies, pathway-oriented drug design, and translational research that amalgamates mechanistic understanding with therapeutic advancement. Research that combines natural product libraries, synthetic chemistry, and delivery technologies that improve selectivity and bioavailability will attract extra attention. This Special Issue seeks to propel the advancement of natural product-inspired medicines for clinical use in oncology by integrating pathway-driven mechanistic investigations with contemporary discovery tools.

Dr. Gul-E-Saba Chaudhry
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Biomedicines is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • cancer
  • drug discovery
  • synthetic anti-cancer
  • natural bioactive compounds
  • nano targeted targeted drug delivery
  • cancer biomarkers
  • mechanism of cell death
  • novel anti-cancer compounds

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Published Papers (2 papers)

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Research

16 pages, 2164 KB  
Article
Computational Repurposing and Experimental Validation of YBX1 Inhibitors in Hepatocellular Carcinoma
by Omar Karkoutly, Veerababu Nagati, Subhash C. Chauhan and Manish Tripathi
Biomedicines 2026, 14(3), 545; https://doi.org/10.3390/biomedicines14030545 - 27 Feb 2026
Viewed by 792
Abstract
Background/Objectives: Hepatocellular carcinoma (HCC) is the most common type of liver cancer worldwide. While early-stage HCC can often be treated with surgical resection, ablation, or liver transplantation, advanced disease typically relies on systemic chemotherapy. Sorafenib is the standard first-line therapy for advanced and [...] Read more.
Background/Objectives: Hepatocellular carcinoma (HCC) is the most common type of liver cancer worldwide. While early-stage HCC can often be treated with surgical resection, ablation, or liver transplantation, advanced disease typically relies on systemic chemotherapy. Sorafenib is the standard first-line therapy for advanced and unresectable HCC; however, both intrinsic and acquired resistance remain major clinical challenges. The Y-box binding protein-1 (YBX1), a transcription factor implicated in drug resistance across multiple cancers, is highly expressed in HCC and represents a potential therapeutic target. This study aimed to identify novel YBX1 inhibitors using a drug repurposing strategy to overcome sorafenib resistance. Methods: A combined in silico and in vitro approach was employed. The cold shock (DNA-binding) domain of YBX1 was modeled, and a comprehensive library of experimental and FDA-approved compounds from the DrugBank database was screened using multi-layered high-throughput virtual screening (HTVS). Candidate compounds with predicted direct interaction with YBX1 were further evaluated through literature review and experimental validation. Results: Virtual screening identified 22 potential compounds predicted to interact with YBX1. Further literature review and feasibility assessment narrowed the list to six candidates: malonaldehyde, mercaptoethanol, glycine, para-chlorophenol, methoxyamine, and ethanolamine. For further evaluation, glycine (a food supplement with no toxicity) was selected for detailed functional studies and was shown to inhibit YBX1 and downregulate its target genes. Conclusions: These findings support YBX1 as a promising therapeutic target in hepatocellular carcinoma and demonstrate the utility of drug repurposing to rapidly identify candidate inhibitors. Targeting YBX1 may provide a viable strategy for enhancing treatment efficacy and overcoming sorafenib resistance in advanced HCC. Full article
(This article belongs to the Special Issue Advances in Natural and Synthetic Anticancer Agents: Mechanistic Insights and Translational Pathways)
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22 pages, 2478 KB  
Article
Potential Regulatory Role of miR-15b, miR-99b, and miR-181a of the Shikonin-Induced MAPK/ERK Apoptotic Signaling Pathway in Renal Carcinoma
by Anna Vass, József Király, Erzsébet Szabó, Nitya Shree, Deisy Ramos, Mahua Choudhury, Petra Fodor, Krisztián Szegedi, Gábor Halmos and Zsuzsanna Szabó
Biomedicines 2025, 13(12), 2898; https://doi.org/10.3390/biomedicines13122898 - 27 Nov 2025
Viewed by 804
Abstract
Background: Shikonin, a natural compound derived from Lithospermum erythrorhizon, exhibits anticancer properties by inducing apoptosis in various tumor types, including clear cell renal cell carcinoma (ccRCC) cell lines CAKI-2 and A-498. This study investigates the mechanisms underlying shikonin-induced apoptosis, focusing on microRNAs [...] Read more.
Background: Shikonin, a natural compound derived from Lithospermum erythrorhizon, exhibits anticancer properties by inducing apoptosis in various tumor types, including clear cell renal cell carcinoma (ccRCC) cell lines CAKI-2 and A-498. This study investigates the mechanisms underlying shikonin-induced apoptosis, focusing on microRNAs miR-15b, miR-99b, and miR-181a in ccRCC. Materials and Methods: ccRCC cells were treated with 5 µM shikonin. Expression levels of miR-15b, miR-99b, and miR-181a were measured by TaqMan PCR. Apoptosis-related targets (AKT3, PDCD4, FOXO1, FOXO3, JNK1, and LAMTOR3) were identified in silico and validated by qRT-PCR and Western blot. Spearman’s correlation was used to evaluate miRNA–target relationships. Ingenuity Pathway Analysis explored relevant pathways. Results: Shikonin decreased miR-15b, miR-99b, and miR-181a levels in CAKI-2 cells, whereas these miRNAs were increased in A-498 cells, demonstrating cell-line-specific effects. qRT-PCR and Western blot confirmed changes in target expression, suggesting regulation by these miRNAs. In A-498 cells, miR-181a expression positively correlated with the studied target levels during 24–72 h of treatment, indicating that its potential regulatory role may be cell-type-dependent. MiR-15b and miR-99b showed linear correlations with targets in both cell lines, but expression patterns differed, suggesting direct regulation alongside potential involvement in additional pathways contributing to shikonin-induced apoptosis. Conclusions: Shikonin induces apoptosis in renal cancer cells by modulating the MAPK/ERK pathway and through cell-line-specific, cell-type-dependent regulation of miR-15b, miR-99b, and miR-181a. These findings highlight the importance of cell-type-dependent miRNA regulation and underscore the therapeutic potential of shikonin in ccRCC. Full article
(This article belongs to the Special Issue Advances in Natural and Synthetic Anticancer Agents: Mechanistic Insights and Translational Pathways)
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