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Molecules
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Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition
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Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition

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

Deadline for manuscript submissions: 31 December 2024 | Viewed by 3641

Special Issue Editor

Prof. Dr. Beata Morak-Młodawska

E-Mail Website1 Website2
Guest Editor
Department of Organic Chemistry, Faculty of Pharmaceutical Sciences in Sosnowiec, The Medical University of Silesia in Katowice, Jagiellońska 4, 41-200 Sosnowiec, Poland
Interests: organic synthesis; heterocycles; dipyridothiazines; structural analysis; lipophylicity; SAR
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

One of the major challenges of modern medicine is the effective treatment of many diseases that are still difficult to manage. Despite the commercial availability of a number of therapeutics, their performance is still largely limited. Patients’ chances for recovery are improved by searching for new compounds with specific biological properties, which could become an alternative or a breakthrough therapy. On the other hand, we are witnessing the dynamic development of chemistry, medicinal chemistry, and biochemistry, which are presenting new and innovative solutions for drug discovery.

This Special Issue, “Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition”, aims to showcase the most interesting studies on the design of bioactive molecules that could become effective drugs. Moreover, studies that explore the processes of biotransformation of organic compounds and the organic synthesis of pharmaceutical compounds will be of interest. In addition, it is expected that the chemistry of heterocycles, carbohydrates, and proteins—enzymes in particular—will also be described and discussed in the submitted papers.

I hope that the proposed Special Issue will offer a comprehensive and interesting view of the current research on new potential drugs and be an important source of successful solutions for their modern design.

Prof. Dr. Beata Morak-Młodawska
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

  • organic synthesis of bioactive compounds
  • structural analysis
  • biological activity of organic molecules
  • pharmacokinetic analysis of potential drug
  • lipophilicity
  • active pharmaceutical ingredients

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Related Special Issues

Published Papers (3 papers)

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Research

18 pages, 2627 KiB  
Article
Development and Evaluation of a Cost-Effective, Carbon-Based, Extended-Release Febuxostat Tablet
by Israa Hamid Al-Ani, Mohammad Hailat, Dina J. Mohammed, Sina Mahmoud Matalqah, Alaa Azeez Abu Dayah, Bashar J. M. Majeed, Riad Awad, Lorena Filip and Wael Abu Dayyih
Molecules 2024, 29(19), 4629; https://doi.org/10.3390/molecules29194629 - 29 Sep 2024
Viewed by 940
Abstract
This study outlines the development of a cost-effective, extended-release febuxostat (FEB) tablet using activated charcoal as an adsorbent to enhance drug release. FEB, a BCS Class II drug, presents formulation challenges due to low solubility and high lipophilicity. We evaluated eight formulations with [...] Read more.
This study outlines the development of a cost-effective, extended-release febuxostat (FEB) tablet using activated charcoal as an adsorbent to enhance drug release. FEB, a BCS Class II drug, presents formulation challenges due to low solubility and high lipophilicity. We evaluated eight formulations with varying FEB-to-charcoal ratios using FTIR and DSC for physical interactions and followed USP standards for overall assessment. The optimal 1:0.25 FEB-to-charcoal ratio demonstrated a consistent 12 h zero-order release pattern. In vivo studies indicated a significantly extended plasma profile compared to immediate-release tablets. The optimal tablets demonstrated acceptable hardness and disintegration times. This innovative approach enhances patient compliance, improves bioavailability, and reduces production costs, offering a promising solution for controlled FEB delivery. Full article
(This article belongs to the Special Issue Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition)
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14 pages, 5777 KiB  
Article
Design and Synthesis of Dimethylaminomethyl-Substituted Curcumin Derivatives: Potent Anti-Inflammatory, Anti-Oxidant, and Radioprotection Activity, Improved Aqueous Solubility Compared with Curcumin
by Huiling Gu, Sifan Liu, Kai Liang, Ziming Xia, Guangjie Zhang, Bin Li and Shuchen Liu
Molecules 2024, 29(9), 1985; https://doi.org/10.3390/molecules29091985 - 26 Apr 2024
Viewed by 987
Abstract
Although the wide variety of bioactivities of curcumin has been reported by researchers, the clinical application of curcumin is still limited due to its poor aqueous solubility. In view of this, a series of dimethylaminomethyl-substituted curcumin derivatives were designed and synthesized (compounds 1 [...] Read more.
Although the wide variety of bioactivities of curcumin has been reported by researchers, the clinical application of curcumin is still limited due to its poor aqueous solubility. In view of this, a series of dimethylaminomethyl-substituted curcumin derivatives were designed and synthesized (compounds 1–15). Acetate of these derivatives were prepared (compounds 1a–15a). The Mannich reaction and aldol condensation reaction are the main reactions involved in this study. Compounds 6, 10, 12, 3a, 5a, 6a, 7a, 8a, 10a, 11a, 12a, 13a, 14a, and 15a exhibited better in vitro anti-inflammatory activity compared to curcumin in the RAW264.7 cell line. Compounds 5, 1a, 5a, 8a, and 12a exhibited better in vitro antioxidant activity compared to curcumin in the PC 12 cell line. Compounds 11, 13, 5a, 7a, and 13a exhibited better in vitro radiation protection compared to curcumin in the PC 12 cell line. The aqueous solubilities of all the curcumin derivative acetates were greatly improved compared to curcumin. Full article
(This article belongs to the Special Issue Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition)
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12 pages, 1290 KiB  
Article
Synthesis and Structural Characterization of Novel Dimers of Dipyridothiazine as Promising Antiproliferative Agents
by Emilia Martula, Beata Morak-Młodawska, Małgorzata Jeleń, Patrick N. Okechukwu, Abbirami Balachandran, Prethika Tehirunavukarasu, Kirthani Anamalay and Vaidehi Ulaganathan
Molecules 2023, 28(22), 7662; https://doi.org/10.3390/molecules28227662 - 19 Nov 2023
Cited by 2 | Viewed by 1304
Abstract
Many new isomeric dipyridothiazine dimers have been presented as molecules with anticancer potential. These compounds were obtained in efficient syntheses of 1,6-, 1,8-, 2,7- and 3,6-diazaphenothiazines with selected alkylaromatic linkers. The structures of these compounds has been proven with two-dimensional spectroscopic techniques (COSY, [...] Read more.
Many new isomeric dipyridothiazine dimers have been presented as molecules with anticancer potential. These compounds were obtained in efficient syntheses of 1,6-, 1,8-, 2,7- and 3,6-diazaphenothiazines with selected alkylaromatic linkers. The structures of these compounds has been proven with two-dimensional spectroscopic techniques (COSY, NOESY, HSQC and HMBC) and high-resolution mass spectrometry (HRMS). In silico analyses of probable molecular targets were performed using the Way2Drug server. All new dimers were tested for anticancer activity against breast cancer line MCF7 and colon cancer line SW480. Cytotoxicity was assessed on normal L6 muscle cells. The tested dimers had high anticancer potential expressed as IC50 and the selectivity index SI. The most active derivative, 4c, showed an IC50 activity of less than 1 µM and an SI selectivity index higher than 100. Moreover, the compounds were characterized by low toxicity towards normal cells, simultaneously indicating a high cytostatic potential. Full article
(This article belongs to the Special Issue Design, Synthesis, and Analysis of Potential Drugs, 3rd Edition)
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