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Recent Advances in the Discovery of Biologically Relevant Small Molecules

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

Deadline for manuscript submissions: closed (31 October 2023) | Viewed by 4321

Special Issue Editors


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Guest Editor
Department of Pharmacy - Pharmaceutical Sciences, University of Bari Aldo Moro, Bari, Italy
Interests: biologically active compounds; chirality; antimyotonic agents; antiarrhythmics; antimicrobials; anticancers; α-glucosidase inhibitors; synthesis and extraction of antioxidant agents
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Pharmacy - Pharmaceutical Sciences, University of Bari Aldo Moro, Bari, Italy
Interests: biologically active compounds; antimyotonic agents; antimicrobials; extraction of antioxidant agents

Special Issue Information

Dear Colleagues,

Small molecules are low-molecular-weight compounds that, due to their small size, easily cross cell membranes to reach a wide range of intracellular targets. This is why they play a pivotal role in most of the challenges facing human health, such as cancer, cardiovascular diseases, metabolic diseases, and infectious diseases, to mention just a few. Unfortunately, small molecules are often biased by off-target activities responsible for undesired side effects and toxicity. Therefore, many efforts are continuously devoted to the identification of novel viable and safe drug candidates to fulfill more effective therapies for human diseases. The current Special Issue aims to collect original research articles as well as reviews on recent advances in the identification of synthetic, semi-synthetic, or naturally occurring small molecules as potential drug candidates in different therapeutic areas.

Potential topics include (but are not limited to) the following:

  • Drug discovery;
  • Synthesis of pharmaceutically relevant compounds;
  • Isolation and identification of biologically active natural products;
  • In vitro, ex vivo, and in vivo biological evaluation;
  • Molecular docking;
  • Drug repositioning.

Dr. Giovanni Lentini
Dr. Maria Maddalena Cavalluzzi
Dr. Gualtiero Milani
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 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

  • drug discovery
  • small molecules
  • natural compounds
  • biological evaluation
  • molecular docking
  • drug repositioning

Published Papers (2 papers)

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Research

16 pages, 1796 KiB  
Article
Antimicrobial Synergistic Effects of Linezolid and Vancomycin with a Small Synthesized 2-Mercaptobenzothiazole Derivative: A Challenge for MRSA Solving
by Marilena Muraglia, Brigida Immacolata Pia Schiavone, Antonio Rosato, Maria Lisa Clodoveo and Filomena Corbo
Molecules 2023, 28(17), 6348; https://doi.org/10.3390/molecules28176348 - 30 Aug 2023
Viewed by 770
Abstract
Methicillin-resistant Staphylococcus aureus (MRSA) emerged as one of the leading causes of persistent human infections and makes it difficult to treat bacteremia, especially with biofilm formation. In this work, we investigated the in vitro synergism between Linezolid (LNZ) and Vancomycin (VAN) with a [...] Read more.
Methicillin-resistant Staphylococcus aureus (MRSA) emerged as one of the leading causes of persistent human infections and makes it difficult to treat bacteremia, especially with biofilm formation. In this work, we investigated the in vitro synergism between Linezolid (LNZ) and Vancomycin (VAN) with a 2-mercaptobenzothiazole derivative, resulting in a new small-molecule antibacterial compound that we named BTZ2e, on several clinical MRSA, MRSE (methicillin-resistant Staphylococcus epidermidis) and control (ATCC Collection) strains in their planktonic and biofilms cultures. The broth microdilution method evaluated the susceptibility of planktonic cells to each investigated antibiotic combined with BTZ2e. The biofilm’s metabolic activity was studied with the XTT reduction assay. As a result, in this study, biofilm formation was significantly suppressed by the BTZ2e treatment. In terms of minimal biofilm inhibitory concentration (MBIC), BTZ2e revealed an MBIC50 value of 32 μg/mL against methicillin-susceptible S. aureus (MSSA) and 16 μg/mL against methicillin-resistant S. aureus ATCC 43300 biofilms. An inhibition range of 32 μg/mL and 256 μg/mL was registered for the clinical isolates. Interestingly, a synergistic effect (FICI ≤ 0.5) was encountered for the combination of BTZ2e with LNZ and VAN on several planktonic and sessile strains. In particular, the best result against planktonic cells emerged as a result of the synergistic association between LNZ and BTZ2e, while against sessile cells, the best synergistic association resulted from VAN and BTZ2e. The consistent results indicate BTZ2e as a promising adjuvant against multi-resistant strains such as MRSA and MRSE. Full article
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13 pages, 2488 KiB  
Article
Biostimulant Formulations and Moringa oleifera Extracts to Improve Yield, Quality, and Storability of Hydroponic Lettuce
by Naouel Admane, Giuseppe Cavallo, Chahinez Hadjila, Maria Maddalena Cavalluzzi, Natalie Paola Rotondo, Antonio Salerno, Joseph Cannillo, Graziana Difonzo, Francesco Caponio, Antonio Ippolito, Giovanni Lentini and Simona Marianna Sanzani
Molecules 2023, 28(1), 373; https://doi.org/10.3390/molecules28010373 - 02 Jan 2023
Cited by 5 | Viewed by 2848
Abstract
The urgent need to increase the sustainability of crop production has pushed the agricultural sector towards the use of biostimulants based on natural products. The current work aimed to determine whether the preharvest application of two commercial formulations, based on a Fabaceae enzymatic [...] Read more.
The urgent need to increase the sustainability of crop production has pushed the agricultural sector towards the use of biostimulants based on natural products. The current work aimed to determine whether the preharvest application of two commercial formulations, based on a Fabaceae enzymatic hydrolysate or a blend of nitrogen sources including fulvic acids, and two lab-made aqueous extracts from Moringa oleifera leaves (MLEs), could improve yield, quality, and storability of lettuce grown in a hydroponic system, as compared to an untreated control. Lettuce plants treated with the MLEs showed significantly improved quality parameters (leaf number, area, and color), total phenolic content and antioxidant activity, and resistance against the fungal pathogen Botrytis cinerea, comparable to that obtained with commercial formulates, particularly those based on the protein hydrolysate. A difference between the M. oleifera extracts was observed, probably due to the different compositions. Although further large-scale trials are needed, the tested MLEs seem a promising safe and effective preharvest means to improve lettuce agronomic and quality parameters and decrease susceptibility to rots. Full article
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