Experimental and Computational Aspects of Bioactive Proteins From Animal Venoms: An Insight Into Pharmacological Properties and Drug Discovery, Volume II

This exciting Research Topic is the second volume of the Research Topic "Experimental and computational aspects of bioactive proteins from animal venoms: An insight into pharmacological properties and drug discovery" Please see the first volume here. Volume II expands on the research published in Volume I, presenting new findings and methodologies to advance the field, including the addition of artificial intelligence.

Animal venoms are complex mixtures of bioactive peptides and proteins with diverse pharmacological effects. These molecules are the active components of venom toxins responsible for the pathological effects of envenomation. However, while venom toxins can be lethal, they also hold immense therapeutic potential when their pharmacological targets and mechanisms of action are properly understood. A notable example is the discovery of captopril, derived from the venom of the Brazilian viper Bothrops jararaca, which inhibits angiotensin-converting enzyme (ACE) and is now widely used to treat hypertension.

Advancements in omics technologies, from venom gland transcriptomics to state-of-the-art proteomics, have significantly improved our understanding of venom protein function and diversity. These developments have facilitated the discovery and characterization of bioactive venom components, enabling the identification of their pharmacological potential and mechanisms of action. By integrating experimental and computational approaches—including bioinformatics, molecular modeling and artificial intelligence—researchers have been able to identify and validate molecular targets for venom-derived proteins, paving the way for their development as biotherapeutics.

This Research Topic aims to highlight cutting-edge research on the integration of experimental and computational strategies for exploring venom-derived bioactive compounds with significant pharmacological potential. We invite submissions of original research articles, short communications, and reviews, including but not limited to the following areas:

·       Application of omics technologies in the discovery of bioactive peptides and proteins from animal venoms, including those from snakes, spiders, scorpions, and cone snails.

·       Biochemical and pharmacological characterization of isolated or purified venom toxins and their mechanisms of action.

·       Characterization of recombinant venom proteins with known molecular identities and validated pharmacological targets.

·       Pharmacokinetics and pharmacology of bioactive peptides and proteins from snake venom.

·       Identification and validation of molecular targets using experimental and computational approaches, including artificial intelligence, molecular docking and modeling (purely computational studies will not be considered).

·       Structure-activity relationships of venom-derived proteins.

·       Pharmacological effects and mechanisms of venom components and peptide toxins from spiders, snakes, bees, and scorpions.

·       Snakebite drug discovery: high-throughput screening, drug repurposing, hit validation, and inhibitor optimization for venom toxins, including assay development, counter-screens, and in vivo efficacy models.

By fostering research in this interdisciplinary field, we aim to accelerate the discovery of venom-derived biotherapeutic candidates and expand their applications in drug development, with particular interest in advancing mechanistic pharmacology of animal venoms and driving snakebite therapeutics through robust venom toxins inhibitors discovery pipelines.

Article types and fees

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Brief Research Report
• Data Report
• Editorial
• FAIR² Data
• FAIR² DATA Direct Submission
• General Commentary
• Hypothesis and Theory
• Methods
• Mini Review
• ... View all formats

Articles that are accepted for publication by our external editors following rigorous peer review incur a publishing fee charged to Authors, institutions, or funders.

Article types

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

• Brief Research Report
• Data Report
• Editorial
• FAIR² Data
• FAIR² DATA Direct Submission
• General Commentary
• Hypothesis and Theory
• Methods
• Mini Review
• Opinion
• Original Research
• Perspective
• Review
• Systematic Review
• Technology and Code

Keywords: Venoms, Bioactive Proteins, -Omics, Bioinformatics, Molecular Docking, Biotherapeutics

Important note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.