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Bioactive Small Molecules: Design, Synthesis, and Applications
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Bioactive Small Molecules: Design, Synthesis, and Applications

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

Deadline for manuscript submissions: 15 November 2024 | Viewed by 10810

Special Issue Editors

Dr. Albert Gandioso

E-Mail Website
Guest Editor
Chemical Biology Department, Faculty of Chemistry, Philipps-Universität Marburg, 35043 Marburg, Germany
Interests: photolabile protecting group; photodynamic therapy; fluorescence microscopy; chemical biology; organic chemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Francesco Maione

E-Mail Website
Guest Editor
ImmunoPharmaLab, Department of Pharmacy, School of Medicine and Surgery, University of Naples Federico II, 80138 Naples, Italy
Interests: inflammation; immuno-pharmacology; pharmacology of natural compounds and nutraceuticals
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In recent years, the incidence rates of several diseases have risen dramatically. According to the most recent report by the World Health Organization, cancer is currently the second leading cause of death worldwide. Despite this, we must not forget other minority diseases, which are no less important. In the same way, we cannot forget infectious diseases caused by bacteria, fungi, and viruses. Recently, researchers have been attempting to find treatments for COVID-19 and HIV. Therefore, as a matter of urgency, new targets need to be identified and new therapeutic strategies need to be improved. This Special Issue aims to disclose the most recent advancements in the design, synthesis, and novel applications of small bioactive molecules as new approaches and methods for the improvement of the pharmacological profile of currently available drugs.

Dr. Albert Gandioso
Prof. Dr. Francesco Maione
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.

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Published Papers (4 papers)

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Research

13 pages, 2009 KiB  
Article
Synthesis and Activity Evaluation of Vinpocetine-Derived Indole Alkaloids
by Zhang-Chao Dong, Yang Shi, Liang-Liang Zheng, You-Ping Tian, Jian Yang, Ying Wei, Ying Zhou and Bo-Wen Pan
Molecules 2024, 29(1), 14; https://doi.org/10.3390/molecules29010014 - 19 Dec 2023
Viewed by 1196
Abstract
This study focuses on the synthesis of novel vinpocetine derivatives (2–25) and their biological evaluation. The chemical structures of the synthesized compounds were fully characterized using techniques such as 1H NMR, 13C NMR, and HRMS. The inhibitory [...] Read more.
This study focuses on the synthesis of novel vinpocetine derivatives (2–25) and their biological evaluation. The chemical structures of the synthesized compounds were fully characterized using techniques such as 1H NMR, 13C NMR, and HRMS. The inhibitory activity of the synthesized compounds on PDE1A was evaluated, and the results revealed that compounds 3, 4, 5, 12, 14, 21, and 25 exhibited superior inhibitory activity compared to vinpocetine. Compound 4, with a para-methylphenyl substitution, showed a 5-fold improvement in inhibitory activity with an IC50 value of 3.53 ± 0.25 μM. Additionally, compound 25, with 3-chlorothiazole substitution, displayed an 8-fold increase in inhibitory activity compared to vinpocetine (IC50 = 2.08 ± 0.16 μM). Molecular docking studies were conducted to understand the binding models of compounds 4 and 25 within the active site of PDE1A. The molecular docking study revealed additional binding interactions, such as π–π stacking and hydrogen bonding, contributing to the enhanced inhibitory activity and stability of the ligand–protein complexes. Overall, the synthesized vinpocetine derivatives demonstrated promising inhibitory activity on PDE1A, and the molecular docking studies provided insights into their binding modes, supporting further development of these compounds as potential candidates for drug research and development. Full article
(This article belongs to the Special Issue Bioactive Small Molecules: Design, Synthesis, and Applications)
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16 pages, 15689 KiB  
Article
Designing Click One-Pot Synthesis and Antidiabetic Studies of 1,2,3-Triazole Derivatives
by Kainat Shafique, Aftab Farrukh, Tariq Mahmood Ali, Sumera Qasim, Laila Jafri, Hisham S. M. Abd-Rabboh, Murefah mana AL-Anazy and Saima Kalsoom
Molecules 2023, 28(7), 3104; https://doi.org/10.3390/molecules28073104 - 30 Mar 2023
Cited by 11 | Viewed by 2029
Abstract
In the present study, a new series of 1,2,3-triazole derivatives was synthesized via a click one-pot reaction. The synthesized compounds were found to be active during molecular docking studies against targeted protein 1T69 by using the Molecular Operating Environment (MOE) software. The designed [...] Read more.
In the present study, a new series of 1,2,3-triazole derivatives was synthesized via a click one-pot reaction. The synthesized compounds were found to be active during molecular docking studies against targeted protein 1T69 by using the Molecular Operating Environment (MOE) software. The designed and synthesized compounds were characterized by using FT-IR, 1H-NMR and LC-MS spectra. The synthesized triazole moieties were further screened for their α-amylase and α-glucosidase inhibitory activities. The preliminary activity analysis revealed that all the compounds showed good inhibition activity, ranging from moderate to high depending upon their structures and concentrations and compared to the standard drug acarbose. Both in silico and in vitro analysis indicated that the synthesized triazole molecules are potent for DM type-II. Out of all the compounds, compound K-1 showed the maximum antidiabetic activity with 87.01% and 99.17% inhibition at 800 µg/mL in the α-amylase and α-glucosidase inhibition assays, respectively. Therefore these triazoles may be further used as promising molecules for development of antidiabetic compounds. Full article
(This article belongs to the Special Issue Bioactive Small Molecules: Design, Synthesis, and Applications)
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13 pages, 1395 KiB  
Article
Synthesis of Novel N-Methylmorpholine-Substituted Benzimidazolium Salts as Potential α-Glucosidase Inhibitors
by Imran Ahmad Khan, Furqan Ahmad Saddique, Sana Aslam, Usman Ali Ashfaq, Matloob Ahmad, Sami A. Al-Hussain and Magdi E. A. Zaki
Molecules 2022, 27(18), 6012; https://doi.org/10.3390/molecules27186012 - 15 Sep 2022
Cited by 6 | Viewed by 2065
Abstract
The α-glucosidase enzyme, located in the brush border of the small intestine, is responsible for overall glycemic control in the body. It hydrolyses the 1,4-linkage in the carbohydrates to form blood-absorbable monosaccharides that ultimately increase the blood glucose level. α-Glucosidase inhibitors (AGIs) can [...] Read more.
The α-glucosidase enzyme, located in the brush border of the small intestine, is responsible for overall glycemic control in the body. It hydrolyses the 1,4-linkage in the carbohydrates to form blood-absorbable monosaccharides that ultimately increase the blood glucose level. α-Glucosidase inhibitors (AGIs) can reduce hydrolytic activity and help to control type 2 diabetes. Aiming to achieve this, a novel series of 1-benzyl-3-((2-substitutedphenyl)amino)-2-oxoethyl)-2-(morpholinomethyl)-1H-benzimidazol-3-ium chloride was synthesized and screened for its α-glucosidase inhibitory potential. Compounds 5d, 5f, 5g, 5h and 5k exhibited better α-glucosidase inhibitions compared to the standard drug (acarbose IC50 = 58.8 ± 0.012 µM) with IC50 values of 15 ± 0.030, 19 ± 0.060, 25 ± 0.106, 21 ± 0.07 and 26 ± 0.035 µM, respectively. Furthermore, the molecular docking studies explored the mechanism of enzyme inhibitions by different 1,2,3-trisubstituted benzimidazolium salts via significant ligand–receptor interactions. Full article
(This article belongs to the Special Issue Bioactive Small Molecules: Design, Synthesis, and Applications)
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9 pages, 2080 KiB  
Article
Dimethyl Sulfoxide: A Bio-Friendly or Bio-Hazard Chemical? The Effect of DMSO in Human Fibroblast-like Synoviocytes
by Manuel Gallardo-Villagrán, Lucie Paulus, David Yannick Leger, Bruno Therrien and Bertrand Liagre
Molecules 2022, 27(14), 4472; https://doi.org/10.3390/molecules27144472 - 13 Jul 2022
Cited by 11 | Viewed by 4262
Abstract
The effect of dimethyl sulfoxide (DMSO) in rheumatoid arthritis (RA) human fibroblast-like synoviocytes (FLSs) has been studied on five different samples harvested from the joints (fingers, hands and pelvis) of five women with RA. At high concentrations (>5%), the presence of DMSO induces [...] Read more.
The effect of dimethyl sulfoxide (DMSO) in rheumatoid arthritis (RA) human fibroblast-like synoviocytes (FLSs) has been studied on five different samples harvested from the joints (fingers, hands and pelvis) of five women with RA. At high concentrations (>5%), the presence of DMSO induces the cleavage of caspase-3 and PARP-1, two phenomena associated with the cell death mechanism. Even at a 0.5% concentration of DMSO, MTT assays show a strong toxicity after 24 h exposure (≈25% cell death). Therefore, to ensure a minimum impact of DMSO on RA FLSs, our study shows that the concentration of DMSO has to be below 0.05% to be considered safe. Full article
(This article belongs to the Special Issue Bioactive Small Molecules: Design, Synthesis, and Applications)
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