ArticleInternational journal of molecular sciences2023
Understanding Passive Membrane Permeation of Peptides: Physical Models and Sampling Methods Compared.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
6 citing papers in PubMed.
- Ex Vivo Evaluation of Buserelin Permeation Across Porcine Endometrial Tissue: A Pilot Study.Animals : an open access journal from MDPI · 2026Article
- Molecular Simulations of Polymer-based Drug Nanocarriers: From Physical and Structural Properties to Controlled Release.Advanced healthcare materials · 2026Review
- Smart-AMPs: Decorated Nanostructured Lipid Carriers for Improved Efficacy of Antimicrobial Peptides in Chronically Infected Burn Wounds.Pharmaceutics · 2025Article
- Improving the Accuracy of Permeability Data to Gain Predictive Power: Assessing Sources of Variability in Assays Using Cell Monolayers.Membranes · 2024Review
- Article
- Novel Strategies in the Development of New Therapies, Drug Substances, and Drug Carriers Volume II.International journal of molecular sciences · 2023Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
The early characterization of drug membrane permeability is an important step in pharmaceutical developments to limit possible late failures in preclinical studies. This is particularly crucial for therapeutic peptides whose size generally prevents them from passively entering cells. However, a sequence-structure-dynamics-permeability relationship for peptides still needs further insight to help efficient therapeutic peptide design. In this perspective, we conducted here a computational study for estimating the permeability coefficient of a benchmark peptide by considering and comparing two different physical models: on the one hand, the inhomogeneous solubility-diffusion model, which requires umbrella-sampling simulations, and on the other hand, a chemical kinetics model which necessitates multiple unconstrained simulations. Notably, we assessed the accuracy of the two approaches in relation to their computational cost.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.