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Medicinal Chemistry in Europe II
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Medicinal Chemistry in Europe II

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

Deadline for manuscript submissions: closed (30 November 2020) | Viewed by 16092

Special Issue Editors

Prof. Dr. Josef Jampilek

E-Mail Website
Guest Editor
1. Department of Analytical Chemistry, Faculty of Natural Sciences, Comenius University, Ilkovicova 6, 84215 Bratislava, Slovakia
2. Department of Chemical Biology, Faculty of Science, Palacky University, Olomouc, Slechtitelu 27, 78371 Olomouc, Czech Republic
Interests: medicinal chemistry; drug design; structure–activity relationships; pharmaceutical analysis; polymorphism; drug bioavailability; ADME; nanoparticles; nanoformulations; controlled/targeted delivery
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Robert Musioł

E-Mail Website
Guest Editor
Institute of Chemistry, Faculty of Mathematics, Physics and Chemistry, University of Silesia, Szkolna 9, Katowice, Poland
Interests: quinoline chemistry and applications; anticancer agents; antifungals; drug design
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Medicinal chemistry uses physical, chemical, biochemical, molecular biological, immunological, genetic, and computer technology methods, the versatile understanding of which contributes to progress in the research, manufacturing, evaluation, and control of chemical drugs/pharmaceutics. It is evident that medicinal (or pharmaceutical) chemistry is an interdisciplinary branch that has its “roots“ in all chemical and biological sciences; nevertheless, the unique area of its interests lies in the search of structure–activity relationships (relationships between the chemical structure and the biological effect of potential drugs). Thus, medicinal chemistry is focused on the study of essential knowledge and explanation of the mechanism of action, structure–activity relationships, biodynamic behavior, and chemical reactivity of drugs. Since its beginnings, from Paracelsus (1493–1541), the father of chemiatria, over chemical laboratories in apothecaries of the 18th and 19th centuries, to these days, medicinal chemistry has come a long way. Thus, although inspiration is still derived from nature (secondary metabolites) with the new millennium in the design of new drugs, it is possible to trace the effort to develop drugs “designed” based on the precise knowledge of structural biology (genomics) and other molecular–biological–chemical sciences. With respect to the abovementioned facts, this Special Issue of Molecules titled “Medicinal Chemistry in Europe II” is devoted to the following research topics focused on all fields of medicinal chemistry: (i) drug design; (ii) natural compounds; (iii) synthesis and analysis; (iv) study of physicochemical parameters of drugs; (v) in silico investigations; (vi) biological screening; (vii) chemical biology and biological chemistry; (vii) biomaterials; (viii) excipients; and (ix) diagnostics, and in general, other topics related to design, discovery, research, and development of biologically active agents.

Prof. Dr. Josef Jampilek
Dr. Robert Musiol
Guest Editors

Manuscript Submission Information

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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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Keywords

  • Medicinal chemistry
  • Drug design
  • Chemical biology
  • Biological chemistry
  • Pharmacophore
  • Computer study
  • Modeling
  • Docking
  • Structure–activity relationships
  • Synthesis
  • Analysis
  • Natural compounds
  • Physicochemical properties
  • ADMET
  • Biological screening
  • Drugs
  • Diagnostics
  • Excipients
  • Biomaterials

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Published Papers (4 papers)

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Research

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24 pages, 5383 KiB  
Article
X-ray and Thermal Analysis of Selected Drugs Containing Acetaminophen
by Izabela Jendrzejewska, Tomasz Goryczka, Ewa Pietrasik, Joanna Klimontko and Josef Jampilek
Molecules 2020, 25(24), 5909; https://doi.org/10.3390/molecules25245909 - 13 Dec 2020
Cited by 30 | Viewed by 4795
Abstract
Studies carried out by X-ray and thermal analysis confirmed that acetaminophen (paracetamol), declared by the manufacturers as an Active Pharmaceutical Ingredient (API), was present in all studied medicinal drugs. Positions of diffraction lines (2θ angles) of the studied drugs were consistent with standards [...] Read more.
Studies carried out by X-ray and thermal analysis confirmed that acetaminophen (paracetamol), declared by the manufacturers as an Active Pharmaceutical Ingredient (API), was present in all studied medicinal drugs. Positions of diffraction lines (2θ angles) of the studied drugs were consistent with standards for acetaminophen, available in the ICDD PDF database Release 2008. |Δ2θ| values were lower than 0.2°, confirming the authenticity of the studied drugs. Also, the values of interplanar distances dhkl for the examined samples were consistent with those present in the ICDD. Presence of acetaminophen crystalising in the monoclinic system (form I) was confirmed. Various line intensities for API were observed in the obtained diffraction patterns, indicating presence of the preferred orientation of the crystallites in the examined samples. Thermal analysis of the studied substances confirmed the results obtained by X-ray analysis. Drugs containing only acetaminophen as an API have melting point close to that of pure acetaminophen. It was found that presence of other active and auxiliary substances affected the shapes and positions of endothermal peaks significantly. A broadening of endothermal peaks and their shift towards lower temperatures were observed accompanying an increase in the contents of additional substances being “impurities” in relation to the API. The results obtained by a combination of the two methods, X-ray powder diffraction (XRPD) and differential scanning calorimetry/thermogravimetry (DSC/TGA), may be useful in determination of abnormalities which can occur in pharmaceutical preparations, e.g., for distinguishing original drugs and forged products, detection of the presence of a proper polymorphic form or too low content of the active substance in the investigated drug. Full article
(This article belongs to the Special Issue Medicinal Chemistry in Europe II)
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14 pages, 1572 KiB  
Article
Biological Properties of New Chiral 2-Methyl-5,6,7,8-tetrahydroquinolin-8-amine-based Compounds
by Giorgio Facchetti, Michael S. Christodoulou, Lina Barragán Mendoza, Federico Cusinato, Lisa Dalla Via and Isabella Rimoldi
Molecules 2020, 25(23), 5561; https://doi.org/10.3390/molecules25235561 - 27 Nov 2020
Cited by 2 | Viewed by 2206
Abstract
The synthesis of a small library of 8-substituted 2-methyl-5,6,7,8-tetrahydroquinoline derivatives is presented. All the compounds were tested for their antiproliferative activity in non-cancer human dermal microvascular endothelial cells (HMEC-1) and cancer cells: human T-lymphocyte cells (CEM), human cervix carcinoma cells (HeLa), human dermal [...] Read more.
The synthesis of a small library of 8-substituted 2-methyl-5,6,7,8-tetrahydroquinoline derivatives is presented. All the compounds were tested for their antiproliferative activity in non-cancer human dermal microvascular endothelial cells (HMEC-1) and cancer cells: human T-lymphocyte cells (CEM), human cervix carcinoma cells (HeLa), human dermal microvascular endothelial cells (HMEC-1), colorectal adenocarcinoma (HT-29), ovarian carcinoma (A2780), and biphasic mesothelioma (MSTO-211H). Compounds 3a, 5a, and 2b, showing significant IC50 values against the whole panel of the selected cells, were further synthesized and tested as pure enantiomers in order to shed light on how their stereochemistry might impact on the related biological effect. The most active compound (R)-5a was able to affect cell cycle phases and to induce mitochondrial membrane depolarization and cellular ROS production in A2780 cells. Full article
(This article belongs to the Special Issue Medicinal Chemistry in Europe II)
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19 pages, 3635 KiB  
Article
Impact of N-Alkylamino Substituents on Serotonin Receptor (5-HTR) Affinity and Phosphodiesterase 10A (PDE10A) Inhibition of Isoindole-1,3-dione Derivatives
by Anna Czopek, Anna Partyka, Adam Bucki, Maciej Pawłowski, Marcin Kołaczkowski, Agata Siwek, Monika Głuch-Lutwin, Paulina Koczurkiewicz, Elżbieta Pękala, Anna Jaromin, Bożena Tyliszczak, Anna Wesołowska and Agnieszka Zagórska
Molecules 2020, 25(17), 3868; https://doi.org/10.3390/molecules25173868 - 25 Aug 2020
Cited by 10 | Viewed by 3586
Abstract
In this study, a series of compounds derived from 4-methoxy-1H-isoindole-1,3(2H)-dione, potential ligands of phosphodiesterase 10A and serotonin receptors, were investigated as potential antipsychotics. A library of 4-methoxy-1H-isoindole-1,3(2H)-dione derivatives with various amine moieties was synthesized and [...] Read more.
In this study, a series of compounds derived from 4-methoxy-1H-isoindole-1,3(2H)-dione, potential ligands of phosphodiesterase 10A and serotonin receptors, were investigated as potential antipsychotics. A library of 4-methoxy-1H-isoindole-1,3(2H)-dione derivatives with various amine moieties was synthesized and examined for their phosphodiesterase 10A (PDE10A)-inhibiting properties and their 5-HT1A and 5-HT7 receptor affinities. Based on in vitro studies, the most potent compound, 18 (2-[4-(1H-benzimidazol-2-yl)butyl]-4-methoxy-1H-isoindole-1,3(2H)-dione), was selected and its safety in vitro was evaluated. In order to explain the binding mode of compound 18 in the active site of the PDE10A enzyme and describe the molecular interactions responsible for its inhibition, computer-aided docking studies were performed. The potential antipsychotic properties of compound 18 in a behavioral model of schizophrenia were also investigated. Full article
(This article belongs to the Special Issue Medicinal Chemistry in Europe II)
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Review

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24 pages, 12883 KiB  
Review
Scaffold Modifications in Erythromycin Macrolide Antibiotics. A Chemical Minireview
by Kjell Undheim
Molecules 2020, 25(17), 3941; https://doi.org/10.3390/molecules25173941 - 28 Aug 2020
Cited by 8 | Viewed by 4701
Abstract
Clarithromycin and congeners are important antibacterial members of the erythromycin A 14-membered macrocyclic lactone family. The macrolide scaffold consists of a multifunctional core that carries both chemically reactive and non-reactive substituents and sites. Two main approaches are used in the preparation of the [...] Read more.
Clarithromycin and congeners are important antibacterial members of the erythromycin A 14-membered macrocyclic lactone family. The macrolide scaffold consists of a multifunctional core that carries both chemically reactive and non-reactive substituents and sites. Two main approaches are used in the preparation of the macrolides. In semisynthesis, the naturally occurring macrocycle serves as a substrate for structural modifications of peripheral substituents. This review is focused on substituents in non-activated positions. In the total synthesis approach, the macrolide antibiotics are constructed by a convergent assembly of building blocks from presynthesized substrates or substrates prepared by biogenetic engineering. The assembled block structures are linear chains that are cyclized by macrolactonization or by metal-promoted cross-coupling reactions to afford the 14-membered macrolactone. Pendant glycoside residues are introduced by stereoselective glycosylation with a donor complex. When available, a short summary of antibacterial MIC data is included in the presentations of the structural modifications discussed. Full article
(This article belongs to the Special Issue Medicinal Chemistry in Europe II)
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