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Heterocyclic Building Blocks for Medicinal Applications

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

Deadline for manuscript submissions: closed (31 January 2023) | Viewed by 3103

Special Issue Editors


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Guest Editor
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy “Iuliu Hatieganu”, 400012 Cluj-Napoca, Romania
Interests: cancer therapy; anti-infective drugs; molecular mechanisms; drug synthesis; targeted therapies; bioactive heterocycle synthesis; docking and molecular modelling
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy “Iuliu Hatieganu”, 400012 Cluj-Napoca, Romania
Interests: antibiotics discovery; anticancerous drugs discovery; medicinal chemistry; organic synthesis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In the twenty-first century, an extremely high percentage of all drugs used in therapy contain at least one heterocyclic structure, with heterocyclic compounds being a very large and varied family of molecular fragments used by chemists for organic synthesis. This is not only due to their structural diversity and chemical properties but also because their heterocyclic nuclei are constituents of natural products and play a key role in biological processes. High-quality heterocyclic building blocks are crucial to the biological activities of different molecules and ADMET properties, which eventually impact the success rate of drug discovery projects.

This Special Issue in Molecules aims to familiarize readers with the most modern trends in the field of heterocyclic building blocks with or for medicinal applications. We encourage authors to submit original research articles, review papers, and short communications regarding the design and synthesis of new heterocyclic structures starting from synthetic compounds or from isolated natural compounds, in which the final goal is to obtain compounds with various biological actions or to optimize existing biological properties. Potential topics include but are not limited to the keywords listed below.

Prof. Dr. Brindusa Tiperciuc
Prof. Dr. Ovidiu Oniga
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. 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 synthesis
  • medicinal chemistry
  • hit and lead
  • docking and molecular modulations
  • natural compounds optimization
  • stereoselectivity
  • hybrid heterocycles
  • QSAR
  • heterocyclic building blocks

Published Papers (1 paper)

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Research

15 pages, 3346 KiB  
Article
Histone Deacetylase Inhibitory Activity and Antiproliferative Potential of New [6]-Shogaol Derivatives
by Chanokbhorn Phaosiri, Chavi Yenjai, Thanaset Senawong, Gulsiri Senawong, Somprasong Saenglee, La-or Somsakeesit and Pakit Kumboonma
Molecules 2022, 27(10), 3332; https://doi.org/10.3390/molecules27103332 - 22 May 2022
Cited by 5 | Viewed by 2349
Abstract
Twenty newly synthesized derivatives of [6]-shogaol (4) were tested for inhibitory activity against histone deacetylases. All derivatives showed moderate to good histone deacetylase inhibition at 100 µM with a slightly lower potency than the lead compound. Most potent inhibitors among the [...] Read more.
Twenty newly synthesized derivatives of [6]-shogaol (4) were tested for inhibitory activity against histone deacetylases. All derivatives showed moderate to good histone deacetylase inhibition at 100 µM with a slightly lower potency than the lead compound. Most potent inhibitors among the derivatives were the pyrazole products, 5j and 5k, and the Michael adduct with pyridine 4c and benzothiazole 4d, with IC50 values of 51, 65, 61 and 60 µM, respectively. They were further evaluated for isoform selectivity via a molecular docking study. Compound 4d showed the best selectivity towards HDAC3, whereas compound 5k showed the best selectivity towards HDAC2. The potential derivatives were tested on five cancer cell lines, including human cervical cancer (HeLa), human colon cancer (HCT116), human breast adenocarcinoma cancer (MCF-7), and cholangiocarcinoma (KKU100 and KKU-M213B) cells with MTT-based assay. The most active histone deacetylase inhibitor 5j exhibited the best antiproliferative activity against HeLa, HCT116, and MCF-7, with IC50 values of 8.09, 9.65 and 11.57 µM, respectively, and a selective binding to HDAC1 based on molecular docking experiments. The results suggest that these compounds can be putative candidates for the development of anticancer drugs via inhibiting HDACs. Full article
(This article belongs to the Special Issue Heterocyclic Building Blocks for Medicinal Applications)
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