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Molecular Toxicology of New Drugs: New Insights

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Toxicology".

Deadline for manuscript submissions: closed (28 February 2024) | Viewed by 801

Special Issue Editor


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Guest Editor
Faculté de Pharmacie, Université Paris Descartes, Sorbonne Paris Cité, 75006 Paris, France
Interests: analytical toxicology; clinical toxicology; metabolomics; proteomic
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The number of molecules with pharmacological activities is growing and involves both small organic molecules and macromolecules, e.g., therapeutic proteins. It also includes novel psychoactive substances such as synthetic cannabinoids, synthetic opioids, or cathinone, for which only few data are available regarding the pharmacotoxicological profiles. Regardless of whether these compounds are used for a recreational or therapeutic purposes, a complete toxicity assessment is needed, both at the systemic and the molecular levels, to better understand the effects of such compounds on human health.

This Special Issue is dedicated to the broad array of molecular mechanisms triggered by new drugs with a special focus on molecular biology in both in vitro and in vivo studies. The use of omics approaches, such as proteomics or metabolomics, will provide new insights into the cellular and organ-specific pathways following new drug administration. Studies on the pharmacokinetics and pharmacodynamics of new drugs will also be considered, as well as the investigation of their effect on endogenous metabolites. Studies combining recent analytical approaches, such as molecular network, and biological experiments to decipher the toxicity of new drugs and their related metabolites will be included in the scope of the special issue.

This Special Issue is supervised by Prof. Dr. Pascal Houzé, assisted by Dr Romain Magny.

Prof. Dr. Pascal Houzé
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.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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 toxicity
  • analytical chemistry
  • pharmacokinetics
  • in vivo toxicology
  • in vitro toxicology
  • metabolomics
  • molecular network
  • biomarkers of toxicity

Published Papers (1 paper)

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Research

24 pages, 10563 KiB  
Article
How to Personalize General Anesthesia—A Prospective Theoretical Approach to Conformational Changes of Halogenated Anesthetics in Fire Smoke Poisoning
by Flavius Nicușor Truicu, Roni Octavian Damian, Mihai Alexandru Butoi, Vlad Ionuț Belghiru, Luciana Teodora Rotaru, Monica Puticiu and Renata Maria Văruț
Int. J. Mol. Sci. 2024, 25(9), 4701; https://doi.org/10.3390/ijms25094701 - 25 Apr 2024
Viewed by 310
Abstract
Smoke intoxication is a central event in mass burn incidents, and toxic smoke acts at different levels of the body, blocking breathing and oxygenation. The majority of these patients require early induction of anesthesia to preserve vital functions. We studied the influence of [...] Read more.
Smoke intoxication is a central event in mass burn incidents, and toxic smoke acts at different levels of the body, blocking breathing and oxygenation. The majority of these patients require early induction of anesthesia to preserve vital functions. We studied the influence of hemoglobin (HMG) and myoglobin (MGB) blockade by hydrochloric acid (HCl) in an interaction model with gaseous anesthetics using molecular docking techniques. In the next part of the study, molecular dynamics (MD) simulations were performed on the top-scoring ligand–receptor complexes to investigate the stability of the ligand–receptor complexes and the interactions between ligands and receptors in more detail. Through docking analysis, we observed that hemoglobin creates more stable complexes with anesthetic gases than myoglobin. Intoxication with gaseous hydrochloric acid produces conformational and binding energy changes of anesthetic gases to the substrate (both the pathway and the binding site), the most significant being recorded in the case of desflurane and sevoflurane, while for halothane and isoflurane, they remain unchanged. According to our theoretical model, the selection of anesthetic agents for patients affected by fire smoke containing hydrochloric acid is critical to ensure optimal anesthetic effects. In this regard, our model suggests that halothane and isoflurane are the most suitable choices for predicting the anesthetic effects in such patients when compared to sevoflurane and desflurane. Full article
(This article belongs to the Special Issue Molecular Toxicology of New Drugs: New Insights)
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