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Research on Organic and Medicinal Chemistry, Second Edition
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Research on Organic and Medicinal Chemistry, Second Edition

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Chemical and Molecular Sciences".

Deadline for manuscript submissions: 20 October 2026 | Viewed by 938

Special Issue Editors

Dr. Alessandro Bonardi

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Guest Editor
Department of Neurofarba, Pharmaceutical and Nutraceutical Section, University of Florence, Via Ugo Schiff 6, Sesto Fiorentino, 50019 Florence, Italy
Interests: medicinal chemistry; drug design; carbonic anhydrase; enzymology; molecular modeling
Special Issues, Collections and Topics in MDPI journals
Dr. Niccolò Paoletti Paoletti

E-Mail Website
Guest Editor
Department of Pharmacy, G. d'Annunzio University of Chieti-Pescara, Via dei Vestini 31, 66100 Chieti, Italy
Interests: medicinal chemistry; drug design; carbonic anhydrase; enzymology; molecular modeling; crystallography; mass spectrometry

Special Issue Information

Dear Colleagues,

This Special Issue of Applied Sciences aims to collect relevant scientific contributions in these branches of chemistry, covering a wide range of areas, from human health sciences to energy. The ongoing challenges of our time to improve synthetic techniques and methodologies in order to obtain more environmentally friendly procedures, as well as the emergence of diseases resistant to current drug therapies and poorly investigated diseases, require numerous efforts by the scientific community. Thus, research on novel reactions, bioreactors, or biocatalysts and their optimization; the identification of new targets; the development of novel or optimized molecules (via computer-aided drug design techniques); and innovative delivery systems are important for developing more potent and safe tools.

Dr. Alessandro Bonardi
Dr. Niccolò Paoletti Paoletti
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 250 words) can be sent to the Editorial Office for assessment.

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. Applied Sciences 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 2400 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

  • medicinal chemistry
  • organic chemistry
  • drug design
  • biocatalysts
  • catalysis

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Related Special Issue

Published Papers (2 papers)

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Research

20 pages, 1117 KB  
Article
Agronomic Practices Shape Tissue-Specific Antioxidant Capacity and Metabolic Profiles in Achillea millefolium L.
by Andrea Trabalzini, Ina Varfaj, Guglielmo Sorci, Roccaldo Sardella, Fabio Orlandi and Marco Fornaciari
Appl. Sci. 2026, 16(9), 4146; https://doi.org/10.3390/app16094146 - 23 Apr 2026
Viewed by 187
Abstract
This study investigates the influence of agronomic management on the accumulation of bioactive compounds and the antioxidant capacity of Achillea millefolium L., a medicinal species of increasing relevance for pharmaceutical and nutraceutical applications. Different cultivation strategies were applied, including controlled drought stress, foliar [...] Read more.
This study investigates the influence of agronomic management on the accumulation of bioactive compounds and the antioxidant capacity of Achillea millefolium L., a medicinal species of increasing relevance for pharmaceutical and nutraceutical applications. Different cultivation strategies were applied, including controlled drought stress, foliar fertilization, and inoculation with plant growth–promoting rhizobacteria (PGPR), in order to evaluate their impact on tissue-specific metabolic responses. The total antioxidant capacity (TAC) of flowers and roots was determined using FRAP, DPPH, and ABTS spectrophotometric assays, while metabolite profiling was performed by UHPLC–MS/MS analysis. Clear differences in antioxidant activity were observed among plant organs and cultivation treatments. Flower extracts showed intermediate antioxidant capacity, with FRAP values ranging from 55.86 to 66.55 mg TE g−1 extract and the highest activity consistently recorded for treatment F_010 (addition of K, P fertilizers under water stress conditions and PGPR absence) across all assays. Root extracts exhibited substantially lower antioxidant values (FRAP 19.40–33.69 mg TE g−1), although samples R_000 (no foliar fertilization, under water stress conditions and PGPR absence) and R_100 (no foliar fertilization, under water stress conditions and presence of PGPR) displayed comparatively higher radical scavenging activity. Metabolic profiling revealed a shared presence of caffeic acid derivatives and flavonoids, including mono- and di-caffeoylquinic acids and apigenin-related compounds, with marked quantitative differences among tissues. Overall, the results demonstrate that agronomic practices significantly influence the accumulation and distribution of antioxidant metabolites in A. millefolium L., highlighting the importance of cultivation strategies for optimizing the production of bioactive phytochemicals. Full article
(This article belongs to the Special Issue Research on Organic and Medicinal Chemistry, Second Edition)
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36 pages, 6642 KB  
Article
New 3-(6-Bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic Acid Derivatives: Synthesis and Biological Activity Against Bacterial Pathogens
by Monika Bertašiūtė, Jūratė Šiugždaitė, Birutė Grybaitė, Birutė Sapijanskaitė-Banevič, Livija Tubytė, Raimundas Lelešius, Sergey Belyakov, Mindaugas Marksa, Andrejus Ževžikovas and Vytautas Mickevičius
Appl. Sci. 2026, 16(4), 2096; https://doi.org/10.3390/app16042096 - 21 Feb 2026
Viewed by 427
Abstract
Continuing our work in the field of synthesis and research of amino acids, their derivatives, and cyclization products, in this work, we synthesized various 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid derivatives and investigated their antimicrobial activity. A total of eighteen synthesized chemical compounds (No. 1 [...] Read more.
Continuing our work in the field of synthesis and research of amino acids, their derivatives, and cyclization products, in this work, we synthesized various 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid derivatives and investigated their antimicrobial activity. A total of eighteen synthesized chemical compounds (No. 1–18), including several structural analogues (e.g., 3a, 3b, 4a–4e, 8a–8m, 9a–9d), were evaluated for their antibacterial properties. The antibacterial activity was assessed using the Kirby–Bauer disk diffusion method, and inhibition zone diameters (mm) were measured against five representative bacterial strains: S. aureus, MRSA, B. subtilis, E. coli, and P. aeruginosa. The minimum inhibitory concentrations (MICs) and minimum bactericidal concentrations (MBCs) of the most active synthesized compounds were determined against representative Gram-positive and Gram-negative bacterial strains, including S. aureus, MRSA, B. subtilis, and E. coli. Overall, these results indicate that the tested compounds display selective antibacterial activity, mainly against Gram-positive bacteria, with compound 12 emerging as the most promising derivative in the series. The antibacterial activities of several synthesized compounds were systematically evaluated against S. aureus and MRSA over a 24 h incubation period, with optical density measured at ten time points. Bacterial growth was monitored spectrophotometrically at 600 nm (OD600) at 1, 2, 3, 4, 5, 6, 7, 8, 20, and 24 h, enabling a detailed assessment of growth kinetics and the temporal dynamics of inhibition. The effect of compound 11 on the growth kinetics of S. aureus was evaluated by quantifying viable bacterial counts (log10 CFU/mL) over a 6 h incubation period, and the results are presented in the time–kill curve. Compound 11 was selected for this experiment because it exhibited the most pronounced antibacterial activity against S. aureus in the disk diffusion assay. The cytotoxicity of compounds 9a, 11, 12, and 13 was evaluated at concentrations ranging from 125 to 1.95 µg/mL. The results showed a clear, concentration-dependent decrease in cytotoxicity for all tested compounds. The molecular structure of compound 3a was confirmed by a single-crystal X-ray diffraction. Full article
(This article belongs to the Special Issue Research on Organic and Medicinal Chemistry, Second Edition)
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