Medicinal Chemistry: Topics and Advances

A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".

Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 5593

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Guest Editor
Department of Pharmacy, University of Naples ‘Federico II’, via D. Montesano 49, 80131 Naples (NA), Italy
Interests: medicinal chemistry; peptide chemistry; anticancer research; organic synthesis; antimicrobial peptides; structure–activity relationships
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Special Issue Information

Dear Colleagues,

As a multidisciplinary research subject, medicinal chemistry addresses themes within biology, medicine, and chemistry by providing new chemical entities of pharmacological interest. Thus, in a successful drug discovery route, all of the chemical properties must be taken into account, including those related to structural symmetry of both the end products and the molecules encountered in the overall process as well as reagents, catalysts, and others. In this regard, the numerous advances in this field, spanning from theoretical design to synthetic methodologies, are contributing to more efficient and sophisticated strategies to access therapeutic potential. Therefore, this Special Issue will be devoted to topics and advances in the field of medicinal chemistry with a particular focus on symmetry, including but not limited to the role of chirality in bioactive molecules, such as small molecules, peptides, and peptidomimetics, in addition to related procedures, such as chiral separation, asymmetric synthesis, chiral auxiliaries, and catalysis. Original research and review articles within the general aims and scope of the journal are welcome.

Submit your paper and select the Journal “Symmetry” and the Special Issue “Medicinal Chemistry: Topics and Advances” via: MDPI submission system. Please contact the journal editor Ida Li. Our papers will be published on a rolling basis and we will be pleased to receive your submission once you have finished it.

Dr. Francesco Merlino
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. Symmetry is an international peer-reviewed open access monthly 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

  • Amino acids
  • Computer-aided drug design
  • Organic synthesis
  • Stereochemistry
  • Structural characterization
  • Synthetic technology

Published Papers (2 papers)

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Research

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12 pages, 1652 KiB  
Article
Use of the Molecular Dynamics Method to Investigate the Stability of α-α-Corner Structural Motifs in Proteins
by Vladimir R. Rudnev, Liudmila I. Kulikova, Anna L. Kaysheva, Alexander V. Efimov and Dmitry A. Tikhonov
Symmetry 2021, 13(7), 1193; https://doi.org/10.3390/sym13071193 - 2 Jul 2021
Cited by 5 | Viewed by 2559
Abstract
This study investigated the stability of structural motifs via molecular dynamics, using α-α-corners as an example. A molecular dynamics experiment was performed on a sample of α-α-corners selected by the authors from the PDB database. For the first time during a molecular dynamics [...] Read more.
This study investigated the stability of structural motifs via molecular dynamics, using α-α-corners as an example. A molecular dynamics experiment was performed on a sample of α-α-corners selected by the authors from the PDB database. For the first time during a molecular dynamics experiment, we investigated the characteristics of structural motifs by describing their geometry, including the interplanar distance, area of polygon of the helices projections intersection, and torsion angles between axes of helices in helical pairs. The torsion angles for the constriction amino acids in the equilibrium portion of the molecular dynamics trajectory were analyzed. Using the molecular dynamics method, α-α-corners were found to be autonomous structures that are stable in aquatic environments. Full article
(This article belongs to the Special Issue Medicinal Chemistry: Topics and Advances)
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57 pages, 38502 KiB  
Review
Recent Advancements in Developments of Novel Fluorescent Probes: In Cellulo Recognitions of Alkaline Phosphatases
by Madhusudan Dasnur Nanjappa, Anup Pandith, Svetlana Sankaran, Dorothy Priyanka Dorairaj, Anusha Anjaneya Reddy and Hari Prasad Badubanahalli Ramesh
Symmetry 2022, 14(8), 1634; https://doi.org/10.3390/sym14081634 - 9 Aug 2022
Cited by 4 | Viewed by 1941
Abstract
Alkaline phosphatase (ALP) is one of the vital phospho-ester bond cleaving biocatalysts that has inevitable significance in cellular systems, viz., early-stage osteoblast differentiation, cell integrity in tissues, bone mineralization, cancer biomarker, liver dysfunction, cellular osmotic pressure, protein folding and many more. Variation from [...] Read more.
Alkaline phosphatase (ALP) is one of the vital phospho-ester bond cleaving biocatalysts that has inevitable significance in cellular systems, viz., early-stage osteoblast differentiation, cell integrity in tissues, bone mineralization, cancer biomarker, liver dysfunction, cellular osmotic pressure, protein folding and many more. Variation from optimal levels of ALP in intra and extracellular fluids can cause severe diseases, including death. Due to these reasons, ALP is considered as a vital biomarker for various preclinical and medical diagnosis. Fluorescence image-based diagnosis is the most widely used method, owing to its simplicity, robustness, non-invasive properties and excellent spatio-temporal resolution (up to the nM/pM level), as compared to conventional analytical techniques, such as the electroanalytical method, nuclear magnetic resonance (NMR) and high-performance liquid chromatography (HPLC). Most of the reviews reported for ALP’s recognition in the literature scarcely explain the structurally related, photophysical and biophysical parameters; and the sub-cellular localizations. Considering these facts, in order to enhance the opto-analytical parameters of fluorescence-based diagnostic materials at the cellular level, herein we have systematically documented recent developments in the opto-analytical capabilities of quencher-free probes for ALP, used in in vitro (biological buffers) to in cellulo conditions, along with in vivo models. Full article
(This article belongs to the Special Issue Medicinal Chemistry: Topics and Advances)
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