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Pharmaceuticals
Special Issues
Drug Candidates from Venoms
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Drug Candidates from Venoms

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (31 August 2022) | Viewed by 4088

Special Issue Editor

Dr. Craig Doupnik

E-Mail Website
Guest Editor
Department of Molecular Pharmacology & Physiology, University of South Florida College of Medicine, Tampa, FL 33612, USA
Interests: venom peptides; molecular targets of venom peptides; computational biology; in silico peptide engineering

Special Issue Information

Dear Colleagues,

Venoms derived from a large variety of organisms have captivated human civilizations for centuries. The miniscule amounts of venom that produce dramatic physiologic and pathophysiological responses in nature lend credence to the notion that the components of venom represent the results of nature’s own ‘drug development pipeline’ carried out over eons of evolution. Historically, research efforts aimed at separating and identifying individual venom components and determining their mechanism of action (i.e., targeting specific enzymes, blood coagulation factors, signaling receptors, and ion channels) have successfully led to several venom-derived compounds with therapeutic efficacy and medicinal applications. Current state-of-the-art research in this field involves the application of a broad range of new and emerging technologies. The goals of these efforts are to accelerate the discovery of new venom-inspired drugs using a variety of ‘omics’ approaches applied to any known venomous organism, coupled with advanced medicinal chemistry and computational methods to re-engineer novel venom components for optimizing therapeutic efficacy while minimizing off-target side effects. This Special Issue on Drug Candidates from Venoms aims to report on current state-of-the-art venom-based drug discovery efforts that are largely centered on one of the following areas. First, the comprehensive chemical characterization of novel venom components using ‘omics’ technology. Second, the discovery of new molecular targets and the mechanism of action of novel venom components. Lastly, the discovery of re-engineered venom compounds using both computational modelling and medicinal chemistry approaches. Such studies are expected to be foundational in yielding the next generation of novel drug candidates for possible therapeutic use in human diseases, as well as expanding applications in agriculture and veternary care.

Dr. Craig Doupnik
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. Pharmaceuticals 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 2900 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

  • venom
  • peptides
  • proteins
  • genomics
  • transcriptomics
  • venomics
  • bioinformatics
  • pharmacology
  • computational biology
  • therapeutics
  • toxins
  • toxinology

Published Papers (2 papers)

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Research

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16 pages, 4135 KiB  
Article
Shedding Light on the Drug–Target Prediction of the Anti-Inflammatory Peptide TnP with Bioinformatics Tools
by Carla Lima, Silas Fernandes Eto and Monica Lopes-Ferreira
Pharmaceuticals 2022, 15(8), 994; https://doi.org/10.3390/ph15080994 - 12 Aug 2022
Cited by 2 | Viewed by 1701
Abstract
Peptide–protein interactions are involved in various fundamental cellular functions, and their identification is crucial for designing efficacious peptide therapeutics. Drug–target interactions can be inferred by in silico prediction using bioinformatics and computational tools. We patented the TnP family of synthetic cyclic peptides, [...] Read more.
Peptide–protein interactions are involved in various fundamental cellular functions, and their identification is crucial for designing efficacious peptide therapeutics. Drug–target interactions can be inferred by in silico prediction using bioinformatics and computational tools. We patented the TnP family of synthetic cyclic peptides, which is in the preclinical stage of developmental studies for chronic inflammatory diseases such as multiple sclerosis. In an experimental autoimmune enceph-alomyelitis model, we found that TnP controls neuroinflammation and prevents demyelination due to its capacity to cross the blood–brain barrier and to act in the central nervous system blocking the migration of inflammatory cells responsible for neuronal degeneration. Therefore, the identification of potential targets for TnP is the objective of this research. In this study, we used bioinformatics and computational approaches, as well as bioactivity databases, to evaluate TnP–target prediction for proteins that were not experimentally tested, specifically predicting the 3D structure of TnP and its biochemical characteristics, TnP–target protein binding and docking properties, and dynamics of TnP competition for the protein/receptor complex interaction, construction of a network of con-nectivity and interactions between molecules as a result of TnP blockade, and analysis of similarities with bioactive molecules. Based on our results, integrins were identified as important key proteins and considered responsible to regulate TnP-governed pharmacological effects. This comprehensive in silico study will help to understand how TnP induces its anti-inflammatory effects and will also facilitate the identification of possible side effects, as it shows its link with multiple biologically important targets in humans. Full article
(This article belongs to the Special Issue Drug Candidates from Venoms)
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Review

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10 pages, 1088 KiB  
Review
From Snake Venoms to Therapeutics: A Focus on Natriuretic Peptides
by Wei Fong Ang, Cho Yeow Koh and R. Manjunatha Kini
Pharmaceuticals 2022, 15(9), 1153; https://doi.org/10.3390/ph15091153 - 16 Sep 2022
Cited by 4 | Viewed by 1963
Abstract
Snake venom is a cocktail of multifunctional biomolecules that has evolved with the purpose of capturing prey and for defense. These biomolecules are classified into different classes based on their functions. They include three-finger toxins, natriuretic peptides, phospholipases and metalloproteinases. The focus for [...] Read more.
Snake venom is a cocktail of multifunctional biomolecules that has evolved with the purpose of capturing prey and for defense. These biomolecules are classified into different classes based on their functions. They include three-finger toxins, natriuretic peptides, phospholipases and metalloproteinases. The focus for this review is on the natriuretic peptide (NP), which is an active component that can be isolated from the venoms of vipers and mambas. In these venoms, NPs contribute to the lowering of blood pressure, causing a rapid loss of consciousness in the prey such that its mobility is reduced, paralyzing the prey, and often death follows. Over the past 30 years since the discovery of the first NP in the venom of the green mamba, venom NPs have shown potential in the development of drug therapy for heart failure. Venom NPs have long half-lives, different pharmacological profiles, and may also possess different functions in comparison to the mammalian NPs. Understanding their mechanisms of action provides the strategies needed to develop new NPs for treatment of heart failure. This review summarizes the venom NPs that have been identified over the years and how they can be useful in drug development. Full article
(This article belongs to the Special Issue Drug Candidates from Venoms)
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