International Journal of Molecular Sciences

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Special Issue Editor

Dr. Marco Feligioni

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Guest Editor

EBRI ‘Rita Levi-Montalcini’ Foundation, Rome, Italy
Interests: cell permeable peptides; small molecules; targeted peptides; antibodies; drug developing strategies

Special Issue Information

Dear Colleagues,

As we all know the pharmaceutical market has been mainly characterized by active principle ingredients showing a pharmacology activity for a specific pathology but most of the time the molecular mechanism associated with its activity is not clear.

This describes, in principle, the old pharmacology framework in which several drugs have been identified in serendipity way to directly curative several pathologies. It is known that most of the drugs in the market have been derived mostly from the observation of the efficacy of plants on several pathologies. Now, the hypothetic way of developing a new drug should follow the basic research, identification of molecular targets, and preparation of potential drug leads able to interact with the molecular target.

The research field has become much more sophisticated, with opportunities to study new therapeutic approaches in a more specific way as it is shown from newly published molecules, such as cell-permeable peptides (CPPs), targeted peptides, small molecules, antibodies, etc.

Therefore, this Special Issue will publish cutting-edge research in this field and so we are calling for contributions from any authors active in this field.

Dr. Marco Feligioni
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

Cell permeable peptides
Small molecules
Targeted peptides
Antibodies
Drug developing strategies

Published Papers (2 papers)

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Research

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21 pages, 2871 KiB

Open AccessArticle

Setup and Validation of a Reliable Docking Protocol for the Development of Neuroprotective Agents by Targeting the Sigma-1 Receptor (S1R)

by Giacomo Rossino, Marta Rui, Luca Pozzetti, Dirk Schepmann, Bernhard Wünsch, Daniele Zampieri, Giorgia Pellavio, Umberto Laforenza, Silvia Rinaldi, Giorgio Colombo, Laura Morelli, Pasquale Linciano, Daniela Rossi and Simona Collina

Int. J. Mol. Sci. 2020, 21(20), 7708; https://doi.org/10.3390/ijms21207708 - 18 Oct 2020

Cited by 6 | Viewed by 2552

Abstract

Sigma-1 receptor (S1R) is a promising molecular target for the development of novel effective therapies against neurodegenerative diseases. To speed up the discovery of new S1R modulators, herein we report the development of a reliable in silico protocol suitable to predict the affinity of small molecules against S1R. The docking method was validated by comparing the computational calculated K_i values of a test set of new aryl-aminoalkyl-ketone with experimental determined binding affinity. The druggability profile of the new compounds, with particular reference to the ability to cross the blood–brain barrier (BBB) was further predicted in silico. Moreover, the selectivity over Sigma-2 receptor (S2R) and N-methyl-d-aspartate (NMDA) receptor, another protein involved in neurodegeneration, was evaluated. 1-([1,1’-biphenyl]-4-yl)-4-(piperidin-1-yl)butan-1-one (12) performed as the best compound and was further investigated for acetylcholinesterase (AchE) inhibitor activity and determination of antioxidant activity mediated by aquaporins (AQPs). With a good affinity against both S1R and NMDA receptor, good selectivity over S2R and favorable BBB penetration potential together with its AChE inhibitory activity and its ability to exert antioxidant effects through modulation of AQPs, 12 represents a viable candidate for further development as a neuroprotective agent. Full article

(This article belongs to the Special Issue Molecular Targeted Peptides/Chemicals as New Pharmacological Tool in Medicine)

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Review

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35 pages, 1379 KiB

Open AccessReview

Obstacles against the Marketing of Curcumin as a Drug

by Kambiz Hassanzadeh, Lucia Buccarello, Jessica Dragotto, Asadollah Mohammadi, Massimo Corbo and Marco Feligioni

Int. J. Mol. Sci. 2020, 21(18), 6619; https://doi.org/10.3390/ijms21186619 - 10 Sep 2020

Cited by 59 | Viewed by 7312

Abstract

Among the extensive public and scientific interest in the use of phytochemicals to prevent or treat human diseases in recent years, natural compounds have been highly investigated to elucidate their therapeutic effect on chronic human diseases including cancer, cardiovascular disease, and neurodegenerative disease. Curcumin, an active principle of the perennial herb Curcuma longa, has attracted an increasing research interest over the last half-century due to its diversity of molecular targets, including transcription factors, enzymes, protein kinases, growth factors, inflammatory cytokines, receptors, and it’s interesting pharmacological activities. Despite that, the clinical effectiveness of the native curcumin is weak, owing to its low bioavailability and rapid metabolism. Preclinical data obtained from animal models and phase I clinical studies done in human volunteers confirmed a small amount of intestinal absorption, hepatic first pass effect, and some degree of intestinal metabolism, might explain its poor systemic availability when it is given via the oral route. During the last decade, researchers have attempted with new pharmaceutical methods such as nanoparticles, liposomes, micelles, solid dispersions, emulsions, and microspheres to improve the bioavailability of curcumin. As a result, a significant number of bioavailable curcumin-based formulations were introduced with a varying range of enhanced bioavailability. This manuscript critically reviews the available scientific evidence on the basic and clinical effects and molecular targets of curcumin. We also discuss its pharmacokinetic and problems for marketing curcumin as a drug. Full article

(This article belongs to the Special Issue Molecular Targeted Peptides/Chemicals as New Pharmacological Tool in Medicine)

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