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Applied Sciences
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Anticancer Drugs: New Developments and Discoveries
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Anticancer Drugs: New Developments and Discoveries

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Applied Biosciences and Bioengineering".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 255

Special Issue Editors

Dr. Ana C. Henriques

E-Mail Website
Guest Editor
Católica Biomedical Research Centre, Faculty of Medicine, Catholic University of Portugal, Oeiras, Portugal
Interests: cancer; targeted therapies; microbiology; mitosis; aging
Dr. Patrícia M. A. Silva

E-Mail Website
Guest Editor
1. UNIPRO—Oral Pathology and Rehabilitation Research Unit, University Institute of Health Sciences (IUCS-CESPU), 4585-116 Gandra, Portugal
2. Associate Laboratory i4HB—Institute for Health and Bioeconomy, University Institute of Health Sciences—CESPU, 4585-116 Gandra, Portugal
3. UCIBIO—Applied Molecular Biosciences Unit, Translational Toxicology Research Laboratory, University Institute of Health Sciences (1H-TOXRUN, IUCS-CESPU), 4585-116 Gandra, Portugal
Interests: anticancer strategies; targeted therapy; cancer biomarkers; mitosis; apoptosis; drug discovery; bioactive compounds
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Anticancer drugs remain a fundamental pillar of cancer treatment, supporting an increasingly diverse range of therapeutic strategies. This Special Issue will focus on recent breakthroughs in anticancer drug research and development, and we welcome original research articles and reviews that explore innovative approaches to overcoming the current challenges and limitations associated with these. Relevant topics may include, but are not limited to, the following: the development of novel agents with reduced systemic toxicity; improved drug delivery systems (e.g., nanotechnology-based approaches); targeted therapies (through pathway- or molecule-specific mechanisms, with or without nanotechnology); immunotherapies (including cancer vaccines, adoptive cell therapies, etc.); and computational drug repositioning.

Dr. Ana C. Henriques
Dr. Patrícia M. A. Silva
Guest Editors

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 100 words) can be sent to the Editorial Office for announcement on this website.

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. Applied Sciences is an international peer-reviewed open access semimonthly 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 2400 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

  • anticancer drugs
  • mechanisms of drug resistance
  • targeted therapy
  • drug delivery systems
  • nanotechnology in cancer treatment
  • cancer immunotherapy
  • drug toxicity and safety
  • computational drug repositioning
  • bioinformatics in oncology

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Published Papers (1 paper)

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Research

22 pages, 13716 KiB  
Article
In Silico Identification of Six Mushroom-Derived Sterol and Triterpenoid Compounds as Potential P-Glycoprotein Modulators in Multidrug Resistance
by Jéssica Fonseca, Carlos S. H. Shiraishi, Rui M. V. Abreu, Sara Ricardo and Josiana A. Vaz
Appl. Sci. 2025, 15(16), 8772; https://doi.org/10.3390/app15168772 - 8 Aug 2025
Viewed by 157
Abstract
The overexpression of P-glycoprotein (P-gp) is often directly related to multidrug resistance (MDR), one of the greatest challenges in cancer treatment. This transmembrane efflux pump decreases the intracellular concentrations of chemotherapy drugs, reducing their effectiveness and resulting in treatment failure. This work used [...] Read more.
The overexpression of P-glycoprotein (P-gp) is often directly related to multidrug resistance (MDR), one of the greatest challenges in cancer treatment. This transmembrane efflux pump decreases the intracellular concentrations of chemotherapy drugs, reducing their effectiveness and resulting in treatment failure. This work used in silico methods to assess the potential of bioactive chemicals produced from mushrooms as P-gp modulators. A database comprising 211 bioactive compounds from mushrooms was investigated using molecular docking and virtual screening techniques against the P-gp structure. The compounds ergosta-4,6,8(14),22-tetraen-3-one, lucidumol A, (22E,24S)-ergosta-4,22-dien-3-one, antcin K, 3,11-dioxolanosta-8,24(Z)-diene-26-oic acid, and (22E)-19-norergosta-5,7,9,22-tetraen-3β-ol were identified as the six best candidates from our database of mushroom compounds based on their binding affinities, toxicity predictions, and pharmacological properties assessed through ADME analyses (absorption, distributions, metabolism, and excretion). These six compounds exhibited strong binding affinities, with binding energies ranging from −12.31 kcal/mol to −10.93 kcal/mol, all showing higher affinities than the control, tariquidar, which had a binding energy of −10.78 kcal/mol. Toxicity predictions indicated favorable safety profiles for all six, while ADME analyses found that all six compounds had high oral bioavailability and a low probability of acting as P-gp substrates. These results position bioactive mushroom compounds, particularly these six, as promising P-gp modulators, suggesting positive outcomes in cancer treatment. Full article
(This article belongs to the Special Issue Anticancer Drugs: New Developments and Discoveries)
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