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Special Issue "Synthesis and Evaluation of Biologically Active Compounds from Heterocycles Class"

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

Deadline for manuscript submissions: 30 September 2022 | Viewed by 860

Special Issue Editors

Prof. Dr. Stefania-Felicia Barbuceanu
E-Mail Website
Guest Editor
University of Medicine and Pharmacy "Carol Davila" Bucharest, 050474 Bucharest, Romania
Interests: organic synthesis; heterocyclic compounds; structural characterization; drug design; bioactive compounds; medicinal chemistry
Dr. Octavian Tudorel Olaru
E-Mail Website
Guest Editor
Faculty of Pharmacy, “Carol Davila” University of Medicine and Pharmacy, 050474 Bucharest, Romania
Interests: pharmacognosy; plant science; toxicology; natural anticancer therapies; polyphenols; chromatography; separation of natural compounds; alternative toxicity evaluation
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The chemistry of heterocyclic compounds, especially five- and six-membered heterocycles, has seen an unprecedented development, attracting numerous teams of researchers in the fields of chemistry, biochemistry and pharmacology. The domain fascinates through the important contributions regarding the structure, synthesis, physico-chemical properties and especially biological properties of these compounds, leading to an inexhaustible source of active substances for the development of new drugs.

This Special Issue of Molecules aims to stimulate new research on the synthesis and characterisation of novel heterocyclic compounds, especially five- or six-membered heterocycles or fused heterocycles, by optimized existing synthesis methods or by new, more accessible methods, and on the evaluation of biological activity. Research contributions on new biological effects and on the structure–biological activity relationship of already known compounds are also expected. Although compounds with antimicrobial, anti-inflammatory, anticancer, antioxidant activity are among the most targeted, these represent non-limiting examples, and other research may also be of interest. We cordially invite authors to submit original articles and reviews that will contribute to the discovery and development of new heterocyclic compounds with biological activity.

Prof. Dr. Stefania-Felicia Barbuceanu
Dr. Octavian Tudorel Olaru
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 2300 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

  • organic synthesis
  • five- or six-membered heterocycles
  • fused heterocycles
  • synthetic methodologies
  • biological evaluation
  • medicinal chemistry
  • drug design
  • molecular modelling

Published Papers (2 papers)

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Research

Article
Design, Synthesis, and Biological Evaluation of N14-Amino Acid-Substituted Tetrandrine Derivatives as Potential Antitumor Agents against Human Colorectal Cancer
Molecules 2022, 27(13), 4040; https://doi.org/10.3390/molecules27134040 - 23 Jun 2022
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Abstract
As a typical dibenzylisoquinoline alkaloid, tetrandrine (TET) is clinically used for the treatment of silicosis, inflammatory pulmonary, and cardiovascular diseases in China. Recent investigations have demonstrated the outstanding anticancer activity of this structure, but its poor aqueous solubility severely restricts its further development. [...] Read more.
As a typical dibenzylisoquinoline alkaloid, tetrandrine (TET) is clinically used for the treatment of silicosis, inflammatory pulmonary, and cardiovascular diseases in China. Recent investigations have demonstrated the outstanding anticancer activity of this structure, but its poor aqueous solubility severely restricts its further development. Herein, a series of its 14-N-amino acid-substituted derivatives with improved anticancer effects and aqueous solubility were designed and synthesized. Among them, compound 16 displayed the best antiproliferative activity against human colorectal cancer (HCT-15) cells, with an IC50 value of 0.57 μM. Compared with TET, 16 was markedly improved in terms of aqueous solubility (by 5-fold). Compound 16 significantly suppressed the colony formation, migration, and invasion of HCT-15 cells in a concentration-dependent manner, with it being more potent in this respect than TET. Additionally, compound 16 markedly impaired the morphology and motility of HCT-15 cells and induced the death of colorectal cancer cells in double-staining and flow cytometry assays. Western blot results revealed that 16 could induce the autophagy of HCT-15 cells by significantly decreasing the content of p62/SQSTM1 and enhancing the Beclin-1 level and the ratio of LC3-II to LC3-I. Further study showed that 16 effectively inhibited the proliferation, migration, and tube formation of umbilical vein endothelial cells, manifesting in a potent anti-angiogenesis effect. Overall, these results revealed the potential of 16 as a promising candidate for further preclinical studies. Full article
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Article
Facile Synthesis of Functionalized Phenoxy Quinolines: Antibacterial Activities against ESBL Producing Escherichia coli and MRSA, Docking Studies, and Structural Features Determination through Computational Approach
Molecules 2022, 27(12), 3732; https://doi.org/10.3390/molecules27123732 - 10 Jun 2022
Viewed by 333
Abstract
The synthesis of new 6-Bromoquinolin-4-ol derivatives (3a3h) by Chan–Lam coupling utilizing different types of solvents (protic, aprotic, and mixed solvents) and bases was studied in the present manuscript. Furthermore, their potential against ESBL producing Escherichia coli (ESBL E. coli [...] Read more.
The synthesis of new 6-Bromoquinolin-4-ol derivatives (3a3h) by Chan–Lam coupling utilizing different types of solvents (protic, aprotic, and mixed solvents) and bases was studied in the present manuscript. Furthermore, their potential against ESBL producing Escherichia coli (ESBL E. coli) and methicillin-resistant Staphylococcusaureus (MRSA) were investigated. Commercially available 6-bromoquinolin-4-ol (3a) was reacted with different types of aryl boronic acids along with Cu(OAc)2 via Chan–Lam coupling methodology utilizing the protic and aprotic and mixed solvents. The molecules (3a3h) exhibited very good yields with methanol, moderate yields with DMF, and low yields with ethanol solvents, while the mixed solvent CH3OH/H2O (8:1) gave more excellent results as compared to the other solvents. The in vitro antiseptic values against ESBL E. coli and MRSA were calculated at five different deliberations (10, 20, 30, 40, 50 mg/well) by agar well diffusion method. The molecule 3e depicted highest antibacterial activity while compounds 3b and 3d showed low antibacterial activity. Additionally, MIC and MBC standards were calculated against the established bacteria by broth dilution method. Furthermore, a molecular docking investigation of the derivatives (3a3h) were performed. Compound (3e) was highly active and depicted the least binding energy of −5.4. Moreover, to investigate the essential structural and physical properties, the density functional theory (DFT) findings of the synthesized molecules were accomplished by using the basic set PBE0-D3BJ/def2-TZVP/SMD water level of the theory. The synthesized compounds showed an energy gap from 4.93 to 5.07 eV. Full article
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