molecules-logo

Journal Browser

Journal Browser

Exploring Heterocyclic Compounds: Design, Synthesis, and Their Role in Cancer, Antimicrobial Activity, and COVID-19 Treatment

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

Deadline for manuscript submissions: closed (31 January 2025) | Viewed by 3875

Special Issue Editor


E-Mail Website
Guest Editor
Department of Chemistry, Prairie View A&M University, Prairie View, TX, USA
Interests: molecular wires; electronic properties; optical properties; cation radical; near-ir region; cyclic voltammetry; ultraviolet-visible–near-infrared spectroscopy; parp-1 inhibitor; antiproliferative; apoptosis; autophagy; molecular docking; cancer; drug design
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Cancer remains one of the leading causes of mortality worldwide. The complexity and variability of cancer types necessitate innovative and effective treatment strategies. Heterocyclic compounds have shown remarkable efficacy in cancer therapy due to their ability to interact with various molecular targets involved in tumor growth and progression. Key areas where heterocyclic compounds are making significant impacts include:

  • Targeted Therapy: Heterocycles can be designed to specifically inhibit cancer-related enzymes and receptors, minimizing side effects and improving treatment efficacy.
  • Drug Resistance: Innovative heterocyclic structures are being developed to overcome resistance mechanisms, a major hurdle in current cancer therapies.
  • Multi-Target Agents: The ability to affect multiple pathways simultaneously makes heterocyclic compounds potent candidates for complex cancer treatments.

In addition, the COVID-19 pandemic has underscored the urgent need for novel therapeutic agents to combat the virus and its variants. Heterocyclic compounds have emerged as promising candidates due to their:

  • Antiviral Activity: Many heterocyclic compounds exhibit potent antiviral properties, crucial for inhibiting the replication of SARS-CoV-2.
  • Immunomodulatory Effects: These compounds can modulate immune responses, potentially reducing the severity of COVID-19 symptoms and complications.
  • Drug Repurposing: Existing heterocyclic drugs are being repurposed to treat COVID-19, accelerating the availability of effective treatments.

Furthermore, heterocyclic compounds have demonstrated significant antimicrobial activity, making them valuable in the fight against bacterial and fungal infections. Key areas of interest include:

  • Antimicrobial Activity: The development of heterocyclic compounds with broad-spectrum antimicrobial properties to address resistant bacterial and fungal pathogens.
  • Mechanistic Insights: Understanding how heterocyclic compounds exert their antimicrobial effects at the molecular level.
  • Therapeutic Applications: Evaluating the potential of heterocyclic compounds as alternatives to traditional antibiotics and antifungals.

The following Special Issue aims to gather cutting-edge research and comprehensive reviews on the following topics:

  • The design and synthesis of novel heterocyclic compounds for cancer, COVID-19, and antimicrobial treatment.
  • Mechanistic studies on how heterocyclic compounds interact with molecular targets.
  • Preclinical and clinical evaluations of heterocyclic compounds.
  • Case studies on successful heterocyclic drugs in oncological, antiviral, and antimicrobial therapy.
  • Computational modeling and structure–activity relationship (SAR) studies.

Dr. Sameh Abdelwahed
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 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. 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
  •     cancer treatment
  •     COVID-19 treatment
  •     drug design
  •     drug synthesis
  •     molecular targets
  •     antiviral agents
  •     immunomodulation
  •     targeted therapy
  •     drug resistance
  •     multi-target agents
  •     medicinal chemistry
  •     structure-activity relationship (SAR)
  •     computational modeling
  •     pharmaceutical development
  •     oncology
  •     SARS-CoV-2
  •     therapeutic agents

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.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

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

Published Papers (2 papers)

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

Research

29 pages, 11564 KiB  
Article
Design, Synthesis, and Antimicrobial Evaluation of New Thiopyrimidine–Benzenesulfonamide Compounds
by Abdalrahman Khalifa, Manal M. Anwar, Walaa A. Alshareef, Eman A. El-Gebaly, Samia A. Elseginy and Sameh H. Abdelwahed
Molecules 2024, 29(19), 4778; https://doi.org/10.3390/molecules29194778 - 9 Oct 2024
Viewed by 1519
Abstract
Bacterial infection poses a serious threat to human life due to the rapidly growing resistance of bacteria to antibacterial drugs, which is a significant public health issue. This study was focused on the design and synthesis of a new series of 25 analogues [...] Read more.
Bacterial infection poses a serious threat to human life due to the rapidly growing resistance of bacteria to antibacterial drugs, which is a significant public health issue. This study was focused on the design and synthesis of a new series of 25 analogues bearing a 5-cyano-6-oxo-4-substituted phenyl-1,6-dihydropyrimidine scaffold hybridized with different substituted benzenesulfonamides through the thioacetamide linker M1–25. The antimicrobial activity of the new molecules was studied against various Gram-positive, Gram-negative, and fungal strains. All the tested compounds showed promising broad-spectrum antimicrobial efficacy, especially against K. pneumoniae and P. aeruginosa. Furthermore, the most promising compounds, 6M, 19M, 20M, and 25M, were subjected to minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) assays. In addition, the antivirulence activity of the compounds was also examined using multiple biofilm assays. The new compounds promisingly revealed the suppression of microbial biofilm formation in the examined K. pneumoniae and P. aeruginosa microbial isolates. Additionally, in silico ADMET studies were conducted to determine their oral bioavailability, drug-likeness characteristics, and human toxicity risks. It is suggested that new pyrimidine–benzenesulfonamide derivatives may serve as model compounds for the further optimization and development of new antimicrobial and antisepsis candidates. Full article
Show Figures

Figure 1

17 pages, 2391 KiB  
Article
Synthetic Routes to 2-aryl-1H-pyrrolo[2,3-b]pyridin-4-amines: Cross-Coupling and Challenges in SEM-Deprotection
by Srinivas Reddy Merugu, Sigrid Selmer-Olsen, Camilla Johansen Kaada, Eirik Sundby and Bård Helge Hoff
Molecules 2024, 29(19), 4743; https://doi.org/10.3390/molecules29194743 - 7 Oct 2024
Viewed by 1198
Abstract
7-Azaindoles are compounds of considerable medicinal interest. During development of the structure–activity relationship for inhibitors of the colony stimulated factor 1 receptor tyrosine kinase (CSF1R), a specific 2-aryl-1H-pyrrolo[2,3-b]pyridin-4-amine was needed. Two different synthetic strategies were evaluated, in which the [...] Read more.
7-Azaindoles are compounds of considerable medicinal interest. During development of the structure–activity relationship for inhibitors of the colony stimulated factor 1 receptor tyrosine kinase (CSF1R), a specific 2-aryl-1H-pyrrolo[2,3-b]pyridin-4-amine was needed. Two different synthetic strategies were evaluated, in which the order of the key C-C and C-N cross-coupling steps differed. The best route relied on a chemoselective Suzuki–Miyaura cross-coupling at C-2 on a 2-iodo-4-chloropyrrolopyridine intermediate, and subsequently a Buchwald–Hartwig amination with a secondary amine at C-4. Masking of hydroxyl and pyrroles proved essential to succeed with the latter transformation. The final trimethylsilylethoxymethyl (SEM) deprotection step was challenging, as release of formaldehyde gave rise to different side products, most interestingly a tricyclic eight-membered 7-azaindole. The target 2-aryl-1H-pyrrolo[2,3-b]pyridin-4-amine (compound 3c) proved to be 20-fold less potent than the reference inhibitor, confirming the importance of the N-3 in the pyrrolopyrimidine parent compound for efficient CSF1R inhibition. Full article
Show Figures

Graphical abstract

Back to TopTop