Molecular descriptors suggest stapling as a strategy for optimizing membrane permeability of cyclic peptides

• المؤلفون الرئيسيون: Li, Jianguo, Kannan, Srinivasaraghavan, Aronica, Pietro, Brown, Christopher J., Partridge, Anthony W., Verma, Chandra Shekhar
• مؤلفون آخرون: School of Biological Sciences
• التنسيق: مقال
• اللغة: English
• منشور في: 2022
• الموضوعات: Science::Biological sciences; Cell Membrane Permeability; Hydrogen Bonding
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/161250
• المؤسسة: Nanyang Technological University

Cyclic peptides represent a promising class of drug candidates. A significant obstacle limiting their development as therapeutics is the lack of an ability to predict their membrane permeability. We use molecular dynamics simulations to assess the ability of a set of widely used parameters in descri...