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Pharmaceuticals
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Triazole and Derivatives in Medicinal Chemistry
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Triazole and Derivatives in Medicinal Chemistry

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (15 February 2024) | Viewed by 3292

Special Issue Editor

Dr. Saeed Bahadorikhalili

E-Mail Website
Guest Editor
Department of Electronic Engineering, Universitat Rovira i Virgili, Tarragona, Spain
Interests: organic chemistry; organic synthesis; catalysis; medicinal chemistry; pharmacy

Special Issue Information

Dear Colleagues,

The development of modern medicinal chemistry has tightened the heterocycles with biological activities. Several derivatives of heterocyclic compounds have found applications in various medical fields. Triazole, a five-member heterocycle with 3 nitrogen and 2 carbon atoms, is a significant backbone in medicinal chemistry. This backbone could be found in the structure of many commercial drugs. Since it is readily available through click chemistry to create compound collections against various diseases, it has become an emerging area of interest for medicinal chemists. As is widely known, triazole is the building block for numerous drugs with therapeutic benefits, including antimicrobial, antiviral, anticancer, anti-inflammatory, analgesic, anti-tuberculosis, and antidiabetic activities. In addition, this compound can form complexes with different compounds to form materials with catalytic and biological activities. Regarding the significance of this heterocycle, several researchers have focused on the synthesis of novel compounds based on triazoles and studying their biological activities. Although research efforts are focusing on the development of synthetic triazole analogs, there is still plenty of room for a breakthrough in drug discovery in this field. The potential therapeutic benefits of this moiety have motivated medicinal chemists to create innovative triazole derivatives.

This Special Issue of Pharmaceuticals focuses on "Triazole and Derivatives in Medicinal Chemistry” and invites both reviews and original articles regarding their findings in this field.

I look forward to receiving your contributions.

Dr. Saeed Bahadorikhalili
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. Pharmaceuticals is an international peer-reviewed open access monthly 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 2900 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

  • triazole
  • heterocycles
  • medicinal chemistry
  • pharmaceutical chemistry
  • organic synthesis
  • catalytic organic synthesis
  • bioactivity
  • organocatalysis

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Published Papers (2 papers)

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Research

23 pages, 15664 KiB  
Article
Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations
by Oussama Abchir, Meriem Khedraoui, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi and Samir Chtita
Pharmaceuticals 2024, 17(2), 261; https://doi.org/10.3390/ph17020261 - 19 Feb 2024
Cited by 6 | Viewed by 1560
Abstract
In response to the increasing prevalence of diabetes mellitus and the limitations associated with the current treatments, there is a growing need to develop novel medications for this disease. This study is focused on creating new compounds that exhibit a strong inhibition of [...] Read more.
In response to the increasing prevalence of diabetes mellitus and the limitations associated with the current treatments, there is a growing need to develop novel medications for this disease. This study is focused on creating new compounds that exhibit a strong inhibition of alpha-glucosidase, which is a pivotal enzyme in diabetes control. A set of 33 triazole derivatives underwent an extensive QSAR analysis, aiming to identify the key factors influencing their inhibitory activity against α-glucosidase. Using the multiple linear regression (MLR) model, seven promising compounds were designed as potential drugs. Molecular docking and dynamics simulations were employed to shed light on the mode of interaction between the ligands and the target, and the stability of the obtained complexes. Furthermore, the pharmacokinetic properties of the designed compounds were assessed to predict their behavior in the human body. The binding free energy was also calculated using MMGBSA method and revealed favorable thermodynamic properties. The results highlighted three novel compounds with high biological activity, strong binding affinity to the target enzyme, and suitability for oral administration. These results offer interesting prospects for the development of effective and well-tolerated medications against diabetes mellitus. Full article
(This article belongs to the Special Issue Triazole and Derivatives in Medicinal Chemistry)
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14 pages, 3301 KiB  
Article
Self-Assembling Polymers with p-Aminosalicylate Anions Supported by Encapsulation of p-Aminosalicylate for the Improvement of Drug Content and Release Efficiency
by Shadi Keihankhadiv and Dorota Neugebauer
Pharmaceuticals 2023, 16(10), 1502; https://doi.org/10.3390/ph16101502 - 23 Oct 2023
Cited by 2 | Viewed by 1226
Abstract
Bioactive linear choline-based copolymers were developed as micellar carriers for drug delivery systems (DDSs). The polymethacrylates containing trimethylammonium groups with p-aminosalicylate anions (PAS-based copolymers: series 1) or chloride anions (Cl-based copolymers: series 2) differing in ionic content and chain length were selected [...] Read more.
Bioactive linear choline-based copolymers were developed as micellar carriers for drug delivery systems (DDSs). The polymethacrylates containing trimethylammonium groups with p-aminosalicylate anions (PAS-based copolymers: series 1) or chloride anions (Cl-based copolymers: series 2) differing in ionic content and chain length were selected for drug loading. The diverse structures of amphiphilic copolymers made it possible to adjust the encapsulation efficiency of a well-known antibiotic, i.e., p-aminosalicylate in the form of sodium salt (PASNa) or acid (PASA), providing single drug systems. Goniometry was applied to verify the self-assembly capacity of the copolymers using the critical micelle concentration (CMC = 0.03–0.18 mg/mL) and the hydrophilicity level quantifying the surface wettability of polymer film using the water contact angle (WCA = 30–53°). Both parameters were regulated by the copolymer composition, indicating that the increase in ionic content caused higher CMC and lower WCA, but the latter was also modified to a less hydrophilic surface by drug encapsulation. The drug content (DC) in the PAS-based polymers was increased twice by encapsulation of PASNa and PASA (47–96% and 86–104%), whereas in the chloride-based polymer systems, the drug was loaded in 43–96% and 73–100%, respectively. Efficient drug release was detected for PASNa (80–100% series 1; 50–100% series 2) and PASA as complete in both series. The strategy of loading extra drug by encapsulation, which enhances the drug content in the copolymers containing anions of the same pharmaceutics, provided promising characteristics, which highlight the potential of PAS-loaded micellar copolymers for drug delivery. Full article
(This article belongs to the Special Issue Triazole and Derivatives in Medicinal Chemistry)
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