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Novel Heterocyclic Compounds: Synthesis and Applications
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Novel Heterocyclic Compounds: Synthesis and Applications

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

Deadline for manuscript submissions: 30 September 2026 | Viewed by 5166

Special Issue Editors

Prof. Dr. Mario Orodnez

E-Mail Website
Guest Editor
Centro de Investigaciones Químicas-IICBA, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, 62209 Cuernavaca, Morelos, Mexico
Interests: α-aminophosphonates; aminophosphonic acids; stereoselective synthesis; anti-inflammatory; multicomponent reaction; stereodivergent synthesis
Special Issues, Collections and Topics in MDPI journals
Dr. José Luis Viveros-Ceballos

E-Mail Website
Guest Editor
Centro de Investigaciones Químicas–IICBA, Universidad Autónoma del Estado de Morelos. Av. Uni-versidad 1001, Cuernavaca 62209, Morelos, México
Interests: organic synthesis; heterocyclic compounds; bioactive molecules
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Heterocyclic compounds represent one of the most diverse and essential classes of organic molecules, playing a crucial role in both fundamental research and applied sciences. Their structural versatility and unique properties make them indispensable in medicinal chemistry, where they form the backbone of numerous bioactive molecules. In fact, a significant proportion of agrochemicals, pharmaceuticals, and veterinary drugs incorporate heterocyclic frameworks due to their broad spectrum of biological activities, including anticancer, anti-inflammatory, antibacterial, antifungal, and antiviral properties. Beyond their biomedical relevance, heterocyclic compounds find applications in materials science, serving as key components in dyes, polymers, corrosion inhibitors, and antioxidants. The continuous exploration and development of novel heterocyclic scaffolds remain a central focus in synthetic organic chemistry, driven by the need for innovative therapeutic agents and functional materials. By bringing together cutting-edge studies in organic synthesis, medicinal chemistry, and related disciplines, this Special Issue aims to highlight recent developments that expand the chemical and functional diversity of heterocycles. Given the interdisciplinary nature of this field, contributions that explore new synthetic methodologies, mechanistic insights, or emerging applications in pharmaceuticals, materials science, and agrochemicals are particularly encouraged. In this Special Issue, original research articles and reviews are welcome. We look forward to receiving your contributions.

Prof. Dr. Mario Orodnez
Dr. José Luis Viveros-Ceballos
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

  • heterocyclic compounds
  • synthetic methodologies
  • medicinal chemistry
  • bioactive molecules
  • pharmaceutical applications
  • catalysis in heterocycle synthesis
  • green chemistry approaches
  • structure–activity relationships (SARs)
  • organic synthesis
  • agrochemical applications

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Published Papers (5 papers)

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Research

30 pages, 6607 KB  
Article
N-Benzyl-6-Chloro-4-Hydroxy-2-Quinolone-3-Carboxamides: Synthesis, Computational Studies, and Biological Investigation as Anticancer Agents
by Sara Jamal Meknas, Eveen Al-Shalabi, Rima Hajjo, Sanaa K. Bardaweel, Ghassan Abushaikha, Kamal Sweidan, Swapnaa Balaji, Amit K. Tiwari, Haizhen A. Zhong and Dima A. Sabbah
Molecules 2026, 31(4), 655; https://doi.org/10.3390/molecules31040655 - 13 Feb 2026
Viewed by 413
Abstract
Cancer remains the second leading cause of death worldwide, highlighting the urgent need for novel therapeutic agents. In this work, twenty derivatives of N-benzyl-6-chloro-4-hydroxy-2-quinolone-3-carboxamides were synthesized and spectroscopically analyzed using FT-IR, NMR (1H and 13C), and elemental analysis. Substitution [...] Read more.
Cancer remains the second leading cause of death worldwide, highlighting the urgent need for novel therapeutic agents. In this work, twenty derivatives of N-benzyl-6-chloro-4-hydroxy-2-quinolone-3-carboxamides were synthesized and spectroscopically analyzed using FT-IR, NMR (1H and 13C), and elemental analysis. Substitution of benzyl moiety with o-CH3 (8), p-OCH3 (10), m-CH3 (18), p-CH3 (19), and p-CF3 (21) demonstrated three-fold distinct cytotoxicity against human colon cancer (HCT-116) cells with IC50s of 72.0, 100.0–112.0 µM. The cheminformatics calculations disclosed that the analogues possess diverse physicochemical properties and invariable predictions across six drug-likeness scoring models, supporting their potential cytotoxicity profile against colorectal cancer cell lines (Caco-2 and HCT-116). The docking studies against both wild-type and mutant PI3Kα clarified binding interactions, implying that particular functionalities improve efficacy and selectivity. This study provides further evidence for the therapeutic promise of quinolones in targeting cancer-specific pathways and expedites the process for developing potent anticancer agents. Full article
(This article belongs to the Special Issue Novel Heterocyclic Compounds: Synthesis and Applications)
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24 pages, 4000 KB  
Article
Newly Synthesized Telmisartan–Amino Acid Conjugates Exhibit Enhanced Cytotoxic Effects in Malignant Melanoma Cells
by Dragana Vukadinović, Ana Damjanović, Miodrag Vuković, Olivera Čudina, Jelena Grahovac and Vladimir Dobričić
Molecules 2026, 31(1), 125; https://doi.org/10.3390/molecules31010125 - 29 Dec 2025
Viewed by 512
Abstract
Telmisartan, an angiotensin II type 1 receptor (AT1R) antagonist, possesses cytotoxic activity towards BRAF-mutated melanoma cell lines. However, its antihypertensive effects limit its use in the population of normotensive patients. To mitigate this shortcoming, a group of eight telmisartan–amino acid conjugates, designed to [...] Read more.
Telmisartan, an angiotensin II type 1 receptor (AT1R) antagonist, possesses cytotoxic activity towards BRAF-mutated melanoma cell lines. However, its antihypertensive effects limit its use in the population of normotensive patients. To mitigate this shortcoming, a group of eight telmisartan–amino acid conjugates, designed to have reduced or no AT1R affinity with enhanced cellular uptake, were synthesized by the coupling reaction in yields ranging from 34% to 60%. Their cytotoxicity was tested on BRAF V600E-mutated melanoma cell lines (A375 and 518A2), and compounds 1, 3, and 8 stood out as the best candidates. These three compounds were also tested on the vemurafenib-resistant (A375R) and normal (HaCaT and MRC-5) cell lines, and compound 8 showed better cytotoxicity (IC50 = 8.84 ± 1.24 µM) and selectivity (>3.50) when compared to telmisartan (IC50 = 29.23 ± 3.88, selectivity > 2.40). The cellular uptake of compounds 1 and 8 was significantly higher than telmisartan, with substantial accumulation in the membrane and nuclear compartments. Unlike telmisartan, compounds 1, 3, and 8 did not inhibit angiotensin II-induced Ca2+ signaling, which indicates diminished AT1R binding. All three compounds induced cell cycle arrest and disrupted mitochondrial morphology and membrane potential. These findings highlight their potential as non-antihypertensive telmisartan derivatives for melanoma therapy. Full article
(This article belongs to the Special Issue Novel Heterocyclic Compounds: Synthesis and Applications)
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14 pages, 3917 KB  
Article
Photocatalytic Synthesis of 3,4-Dihydroquinolone from Tetrahydroquinolines by a High-Throughput Microfluidic System and Insights into the Role of Organic Bases
by Shuyuan Ding, Tian-Yu Sun, Heming Jiang, Yun-Dong Wu and Xinhao Zhang
Molecules 2026, 31(1), 26; https://doi.org/10.3390/molecules31010026 - 22 Dec 2025
Viewed by 456
Abstract
3,4-dihydroquinolone and its derivatives are structural motifs found in diverse pharmacologically active compounds. Direct oxidation of tetrahydroquinolines represents the most efficient synthetic route to 3,4-dihydroquinolone. However, the reaction conditions reported in previous studies were either relatively harsh or complex. We also attempted previously [...] Read more.
3,4-dihydroquinolone and its derivatives are structural motifs found in diverse pharmacologically active compounds. Direct oxidation of tetrahydroquinolines represents the most efficient synthetic route to 3,4-dihydroquinolone. However, the reaction conditions reported in previous studies were either relatively harsh or complex. We also attempted previously reported photocatalytic oxidation methods for the α-carbonylation of amines, but these approaches failed to efficiently produce 3,4-dihydroquinolone. Herein, we present an efficient photocatalytic oxidation methodology facilitated by our in-house high-throughput microfluidic system, which can be carried out under mild conditions with a short reaction time. Moreover, a new reaction mechanism, in which the organic base DBU serves a dual role as both an electron donor and a hydrogen atom transfer (HAT) mediator, is proposed and supported by DFT calculations. Full article
(This article belongs to the Special Issue Novel Heterocyclic Compounds: Synthesis and Applications)
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15 pages, 2151 KB  
Article
Synthesis of 1H-Pyrrolo[3,2-g]isoquinoline Derivatives as Ligands Targeting Haspin Kinase
by Killian Malosse, Béatrice Josselin, Sandrine Ruchaud, Fabrice Anizon, Francis Giraud and Pascale Moreau
Molecules 2025, 30(22), 4388; https://doi.org/10.3390/molecules30224388 - 13 Nov 2025
Viewed by 736
Abstract
A new series of 1H-pyrrolo[3,2-g]isoquinolines, diversely substituted at the 3-position either by a heteroaromatic scaffold or by propionate/acrylate side chains, were synthesized and evaluated as Haspin kinase inhibitors. The results of the kinase inhibitory potency study demonstrated that some [...] Read more.
A new series of 1H-pyrrolo[3,2-g]isoquinolines, diversely substituted at the 3-position either by a heteroaromatic scaffold or by propionate/acrylate side chains, were synthesized and evaluated as Haspin kinase inhibitors. The results of the kinase inhibitory potency study demonstrated that some of the new prepared compounds exhibited low nanomolar potencies toward Haspin. These results indicated that 3-substituted pyrrolo[3,2-g]isoquinolines could serve as intermediates for the development of PROTACs targeting Haspin, with the 3-position allowing further introduction of linkers to tether an E3 ligase ligand. However, this hypothesis remains to be demonstrated. Full article
(This article belongs to the Special Issue Novel Heterocyclic Compounds: Synthesis and Applications)
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26 pages, 3279 KB  
Article
Facile One-Pot Fischer–Suzuki–Knoevenagel Microwave-Assisted Synthesis of Fluorescent 5-Aryl-2-Styryl-3H-Indoles
by Martynas Rojus Bartkus, Neringa Kleizienė, Aurimas Bieliauskas and Algirdas Šačkus
Molecules 2025, 30(12), 2503; https://doi.org/10.3390/molecules30122503 - 7 Jun 2025
Viewed by 2253
Abstract
In this study, novel fluorescent 5-aryl-2-styryl-3H-indole derivatives were efficiently synthesized from 4-bromophenylhydrazine hydrochloride using the microwave-accelerated one-pot technique, which includes Fischer synthesis, Suzuki cross-coupling, and Knoevenagel condensation. The structural assignments of the synthesized compounds were based on 1H, 13C, [...] Read more.
In this study, novel fluorescent 5-aryl-2-styryl-3H-indole derivatives were efficiently synthesized from 4-bromophenylhydrazine hydrochloride using the microwave-accelerated one-pot technique, which includes Fischer synthesis, Suzuki cross-coupling, and Knoevenagel condensation. The structural assignments of the synthesized compounds were based on 1H, 13C, 15N, and 19F NMR; IR spectroscopy; and HRMS spectral data. The optical properties of the newly obtained styryl-indole dyes were studied using UV-vis and fluorescence spectroscopy, which clearly demonstrated that the derivatives substituted with electron-donating or -withdrawing groups exhibited varying emission shifts and quantum yields ranging from negligible to high. Full article
(This article belongs to the Special Issue Novel Heterocyclic Compounds: Synthesis and Applications)
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