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Synthesis of Biologically Active Compounds as Potential Antitumor, Antimalarial and Antituberculosis Drugs

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 30 September 2026

Special Issue Editors


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Guest Editor
Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Via Aldo Moro 2, 53100 Siena, Italy
Interests: medicinal chemistry; small molecules; drug discovery; structure-activity relationships; anti-infective agents; parasitic diseases; chemotherapeutics; synthesis of biologically active compounds
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Pharmacy, University of Salerno, Via G. Paolo II 132, 84100 Fisciano, SA, Italy
Interests: anticancer agents; natural products; synthesis of small molecules, peptides, and peptidomimetics; medicinal chemistry; drug design
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Tuberculosis, malaria, and cancer share the common challenges of complex biology, high global morbidity, and the persistent emergence of treatment resistance, all of which demand innovative therapeutic strategies.

Despite significant therapeutic advances, each of these diseases remains responsible for substantial morbidity and mortality worldwide, exacerbated by the emergence of drug resistance, the complexity of disease biology, and gaps in the current therapeutic arsenal. The development of novel bioactive small molecules—whether inspired by classical medicinal chemistry, innovative synthetic methodologies, or modern biological insights—remains central to tackling these unmet medical needs.

This Special Issue, “Synthesis of Biologically Active Compounds as Potential Antitumor, Antimalarial and Antituberculosis Drugs,” aims to highlight cutting-edge research at the interface of synthetic organic chemistry, medicinal chemistry, and chemical biology. Contributions will encompass both classical and modern drug discovery paradigms, including phenotypic screening, target-based design, and rational approaches guided by structural, computational, or mechanistic insights.

In addition, we aim to feature experimental studies that elucidate novel mechanisms of action, identify or validate emerging biological targets, or provide insight into the molecular basis of drug resistance. Understanding how small molecules engage biological systems, evade resistance pathways, or exploit previously unrecognized vulnerabilities is essential for creating durable chemotherapeutic, antimalarial, and antituberculosis agents.

We welcome original research articles, communications, and reviews that reflect the synergy between synthetic innovation, mechanistic understanding, and disease-relevant evaluation. Through this Special Issue, we hope to provide a comprehensive and forward-looking perspective on the opportunities emerging in the design of bioactive molecules targeting cancer, malaria, and tuberculosis, while embracing a One Health vision that supports sustainable, long-term global health solutions.

We look forward to your submissions.

Prof. Dr. Sandra Gemma
Dr. Anna Ramunno
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 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. Molecules 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 2700 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

  • mycobacterium tuberculosis
  • non-tubercular mycobacteria
  • targeted anticancer therapy
  • Plasmodium falciparum
  • antimicrobial resistance
  • phenotypic screening
  • rational drug design
  • computational studies

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Published Papers

This special issue is now open for submission.
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