molecules-logo

Journal Browser

Journal Browser

Recent Advances in the Organic Synthesis of Bioactive Natural Compounds and Their Analogs

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

Deadline for manuscript submissions: 31 December 2025 | Viewed by 732

Special Issue Editors


E-Mail Website
Guest Editor
Department of Pharmacy, Division of Pharmaceutical Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece
Interests: development of new synthetic methods; design and synthesis of organic molecules with pharmacological activity (antineoplastic, antiviral, antibacterial, trypanocidal, and central nervous system (CNS)); structural modification of bioactive natural products and their derivatives, aiming to improve their potency; synthesis of natural compounds
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Division of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy, National and Kapodistrian University of Athens,15771 Athens, Greece
Interests: green chemistry and large-scale extraction of high added-value natural products; isolation of natural products; identification and structural elucidation of natural products; semi and total synthesis of natural products; characterization of natural extracts; design and synthesis of new molecules with pharmacological interest; structure–activity relationships
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural compounds have long played a fundamental role in drug discovery, offering structurally diverse and biologically active scaffolds that inspire the development of new therapeutics. Their unique molecular frameworks, often characterized by complex stereochemistry and distinct functional group arrangements, provide a valuable starting point for designing potent and selective agents against a wide range of diseases. However, limitations in their natural availability and structural complexity often necessitate organic synthesis to enable large-scale production and structural refinement. Advances in synthetic methodologies not only facilitate access to these bioactive molecules but also allow for the generation of analogs with enhanced pharmacokinetic properties, stability, and efficacy. The integration of natural product-inspired synthetic strategies remains a key focus in modern medicinal chemistry, bridging the gap between nature’s chemical space and rational drug design. This Special Issue aims to highlight recent advances in the organic synthesis of bioactive natural compounds and their analogs, with an emphasis placed on approaches that contribute to the development of more reliable, target-specific, and pharmacologically active agents.

Dr. Ioannis Kostakis
Prof. Dr. Alexios Leandros Skaltsounis
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

  • bioactive natural compounds
  • organic synthesis
  • natural products
  • synthetic methodologies
  • medicinal chemistry
  • drug discovery
  • total synthesis

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (2 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Research

19 pages, 4216 KB  
Article
Synthesis and QSAR Studies of Claramine Derivatives, a New Class of Broad-Spectrum Antimicrobial Agents
by Marine Blanchet, Carole Di Giorgio and Jean Michel Brunel
Molecules 2025, 30(23), 4614; https://doi.org/10.3390/molecules30234614 - 1 Dec 2025
Viewed by 134
Abstract
The development of new antibiotics has been recognized for over two decades as a major challenge in combating multidrug-resistant bacteria. Herein, we report the synthesis and QSAR studies of claramine derivatives, a new class of broad-spectrum antimicrobial agents active against both susceptible and [...] Read more.
The development of new antibiotics has been recognized for over two decades as a major challenge in combating multidrug-resistant bacteria. Herein, we report the synthesis and QSAR studies of claramine derivatives, a new class of broad-spectrum antimicrobial agents active against both susceptible and resistant Gram-positive and Gram-negative strains. The observed antimicrobial activities were rationalized based on key topological parameters of the derivatives, while cytotoxicity was interpreted by correlating half maximal inhibitory concentration (IC50) values with QSAR models. Owing to the low cytotoxicity observed for several analogues, this molecular class represents a promising alternative for the development of novel agents to counteract multidrug resistance. Full article
Show Figures

Graphical abstract

14 pages, 849 KB  
Article
Design and Synthesis of Structurally Modified Analogs of 24Z-Isomasticadienonic Acid with Enhanced Anti-Proliferative Activity
by Panagiota Stamou, Leentje Persoons, Dominique Schols, Steven De Jonghe, Leandros A. Skaltsounis and Ioannis K. Kostakis
Molecules 2025, 30(23), 4572; https://doi.org/10.3390/molecules30234572 - 27 Nov 2025
Viewed by 272
Abstract
Τriterpenic acids represent a prominent class of bioactive compounds, with a wide range of biological properties, including anti-inflammatory, antiviral, and anticancer effects. Among them, 24Z-isomasticadienonic acid (IMNA), a major constituent of Chios Mastic Gum, has attracted little attention compared with other [...] Read more.
Τriterpenic acids represent a prominent class of bioactive compounds, with a wide range of biological properties, including anti-inflammatory, antiviral, and anticancer effects. Among them, 24Z-isomasticadienonic acid (IMNA), a major constituent of Chios Mastic Gum, has attracted little attention compared with other well-studied triterpenes such as oleanolic or betulinic acid, largely because its isolation in sufficient purity and quantity was only recently achieved. In this study, a series of IMNA analogs was synthesized through targeted modifications at the A-ring. These included the introduction of heteroatoms at position 2, the incorporation of heterocyclic rings such as an oxazole and a thiazole, and rearrangements of the ring structure. The new compounds were evaluated for their antiproliferative activity against a diverse panel of cancer cell lines (Capan-1, HCT-116, LN-229, NCI-H460, DND-41, HL-60, K-562, Z-138). Among the synthesized analogs, compounds 3, 7 and 9 demonstrated selective anticancer activity toward the Capan-1 cell line, whereas compounds 6 and 10 exhibited broad-spectrum cytotoxic effects across multiple cancer cell lines. Overall, these findings highlight IMNA as a promising scaffold for anticancer drug design and demonstrate the value of A-ring modifications in improving activity and selectivity. Full article
Show Figures

Figure 1

Back to TopTop