Advances in Novel Pharmacotherapeutics and Drug Discovery: Computational, Experimental, Translational, and Clinical Models, Volume II

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About this Research Topic

Submission deadlines

  1. Manuscript Summary Submission Deadline 27 May 2025 | Manuscript Submission Deadline 14 September 2025

  2. This Research Topic is still accepting articles.

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Background

The rising prevalence of diseases in both developed and developing nations highlights the need to explore new pharmaceutical resources and innovative therapeutic approaches. The pharmaceutical industry has long played a key role in developing treatments for a wide range of medical conditions, particularly through biologics and biosimilars such as monoclonal antibodies, cytokines, growth factors, hormones, enzymes, vaccines, and blood products. As pharmaceutical expenditures continue to rise and the demand for chemical diversity in drug discovery grows, the search for novel therapeutic technologies presents a promising opportunity to extend life expectancy and improve quality of life.

Developing a new pharmaceutical compound is a highly complex and multi-stage process, requiring validation across computational, experimental, translational, and clinical studies. From initial screening and lead compound identification to preclinical testing, drug efficacy and safety remain critical considerations at every step. In recent years, in silico assays have gained prominence for their ability to analyze molecular connectivity and predict physicochemical and biological properties before clinical trials begin. However, these computational models must be validated through in vitro and in vivo studies, which provide essential data on safety and efficacy.

A synergistic approach integrating in silico, in vitro, and in vivo models is crucial, as each method complements the others and cannot be developed in isolation. While computational models offer valuable theoretical predictions, in vitro and in vivo studies are indispensable for real-world validation. This Research Topic will focus on advancing drug discovery and pharmacotherapeutics through this integrative methodology, ensuring a comprehensive approach to identifying and developing novel therapeutic agents.

Scope and Acceptable Submissions:

This Research Topic prioritizes studies that integrate computational (in silico), experimental (in vitro and in vivo), translational, and clinical approaches in drug discovery and pharmacotherapeutics. Submissions that rely solely on in silico predictions without experimental verification will not be considered, as research articles must include validation through in vitro, in vivo, or clinical models to ensure the translational applicability of computational findings. While reviews and perspective articles may discuss in silico methodologies, they should contextualize their findings within experimental and clinical frameworks. Systematic reviews synthesizing existing evidence in these areas are also welcome.

Guidelines and Ethical Considerations:

Aligning with the Four Pillars of Ethnopharmacology—quality, safety, efficacy, and the historical and socioeconomic context of traditional medicines—this Research Topic ensures that studies on bioactive compounds from natural sources adhere to scientific and ethical standards. Studies on novel bioactive molecules derived from traditional medicine must provide evidence-based pharmacological validation and consider ethical sourcing and cultural implications.

Excluded Studies:

o Submissions lacking experimental validation of in silico findings.
o Research focusing solely on theoretical or hypothetical drug design without supporting experimental data.
o Reports on unverified pharmacological claims without robust experimental or clinical evidence.

Focus Areas:

The scope includes the discovery, identification, development, and characterization of novel bioactive molecules. Research interests cover a wide range of topics, including:

o Pharmacological properties of new compounds.
o Innovative clinical trial design and conduct.
o Novel therapies for chronic diseases.
o Molecules with antioxidant, antiapoptotic, or anti-inflammatory properties.
o Bioactive compounds targeting cell survival and signaling pathways.
o Novel protein and non-protein protease inhibitors.
o Innovations in pharmacogenetics, genomics, and the use of biomarkers in drug development.
o Bioactive molecules with antibacterial, antifungal, or antiviral properties, including those with immunomodulatory effects.

By integrating these diverse methodologies, this Research Topic aims to drive advancements in drug discovery and promote the development of effective and targeted therapeutic solutions for a wide range of diseases.

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
  • General Commentary
  • Hypothesis and Theory
  • Methods
  • Mini Review
  • Opinion
  • Original Research

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
  • General Commentary
  • Hypothesis and Theory
  • Methods
  • Mini Review
  • Opinion
  • Original Research
  • Perspective
  • Review
  • Systematic Review
  • Technology and Code

Keywords: In Silico, In Vivo, In Vitro, Pharmaceutics, Innovation, Nanotechnology, Bioactive Molecules, Biologics, Biosimilars

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.

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