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Molecular Architectonics of Cyclic Dipeptide Amphiphiles and Their Application in Drug Delivery
ACS Applied Bio Materials ( IF 4.6 ) Pub Date : 2020-04-15 , DOI: 10.1021/acsabm.0c00340 Komala Pandurangan 1 , Bappaditya Roy 1 , Kolla Rajasekhar 1 , Yelisetty Venkata Suseela 1 , Prachitha Nagendra 1 , Abhishek Chaturvedi 2 , Upadrasta R Satwik 1 , N Arul Murugan 3 , Upadrasta Ramamurty 2 , Thimmaiah Govindaraju 1
ACS Applied Bio Materials ( IF 4.6 ) Pub Date : 2020-04-15 , DOI: 10.1021/acsabm.0c00340 Komala Pandurangan 1 , Bappaditya Roy 1 , Kolla Rajasekhar 1 , Yelisetty Venkata Suseela 1 , Prachitha Nagendra 1 , Abhishek Chaturvedi 2 , Upadrasta R Satwik 1 , N Arul Murugan 3 , Upadrasta Ramamurty 2 , Thimmaiah Govindaraju 1
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Assembly and co-assemblies of peptide amphiphiles through specific noncovalent forces expand the space of molecular architectonics-driven construction of diverse nanoarchitectures with potential biological applications. In this work, cyclic dipeptide amphiphiles (CDPAs) of cyclo(Gly-Asp) with varying lengths of alkyl chains (C8–C18) were synthesized, and their molecular organization was studied. The noncovalent interactions of the components, CDP and alkyl chain, drive the molecular self-assembly of CDPAs into well-defined and diverse nanoarchitectures such as nanotubes, nanospheres, nano/microsheets, and flowers. The co-assembly of CDPAs with biological molecules such as nucleosides was studied to ascertain their utility as potential drug delivery vehicles. Mechanical properties of these nanoarchitectures in nanoindentation study established them as robust in nature. A temperature-dependent NMR study confirmed the formation of stable co-assembly of CDPAs, primarily driven by the intermolecular hydrogen bonding interactions. Computational modeling of oligomers of CDPAs and their co-assembly with nucleosides/nucleotides reveal the molecular level interactions and driving force behind such assemblies. CDPAs exhibit good biocompatibility and cytocompatibility, as revealed by the cellular studies which substantiated their suitability for drug delivery applications. The co-assembly of CDPA with an anticancer drug 5-bromo-2′-deoxyuridine (BrdU) was studied as a drug delivery platform and cytotoxicity was successfully assessed in HeLa cells. Computational modeling of the oligomers of CDPAs and their co-assembly with the drug molecule was performed to understand the molecular level interactions and driving force behind the assemblies. Our findings reveal the design strategy to construct diverse structural architectures using CDP as the modular building unit and specific molecular interactions driven co-assembly for potential application as drug delivery carrier.
中文翻译：
环状二肽两亲物的分子结构及其在药物递送中的应用
通过特定的非共价力组装和共组装肽两亲物，扩大了分子结构学驱动的具有潜在生物学应用的多种纳米结构的构建空间。在这项工作中，环 (Gly-Asp) 的环状二肽两亲物 (CDPA) 具有不同长度的烷基链 ( C8 – C18) 被合成，并研究了它们的分子结构。组分、CDP 和烷基链的非共价相互作用驱动 CDPA 的分子自组装成定义明确且多样化的纳米结构，例如纳米管、纳米球、纳米/微片和花。研究了 CDPA 与核苷等生物分子的共组装，以确定它们作为潜在药物输送载体的效用。这些纳米结构在纳米压痕研究中的机械性能使它们在本质上是坚固的。与温度相关的 NMR 研究证实了 CDPA 稳定共组装的形成，主要由分子间氢键相互作用驱动。CDPA 寡聚体及其与核苷/核苷酸的共组装的计算模型揭示了这种组装背后的分子水平相互作用和驱动力。CDPA 表现出良好的生物相容性和细胞相容性，细胞研究证实了它们对药物递送应用的适用性。研究了 CDPA 与抗癌药物 5-bromo-2'-deoxyuridine (BrdU) 的共组装作为药物递送平台，并在 HeLa 细胞中成功评估了细胞毒性。对 CDPA 的低聚物及其与药物分子的共组装进行了计算建模，以了解组装背后的分子水平相互作用和驱动力。
更新日期：2020-04-15
中文翻译：
环状二肽两亲物的分子结构及其在药物递送中的应用
通过特定的非共价力组装和共组装肽两亲物，扩大了分子结构学驱动的具有潜在生物学应用的多种纳米结构的构建空间。在这项工作中，环 (Gly-Asp) 的环状二肽两亲物 (CDPA) 具有不同长度的烷基链 ( C8 – C18) 被合成，并研究了它们的分子结构。组分、CDP 和烷基链的非共价相互作用驱动 CDPA 的分子自组装成定义明确且多样化的纳米结构，例如纳米管、纳米球、纳米/微片和花。研究了 CDPA 与核苷等生物分子的共组装，以确定它们作为潜在药物输送载体的效用。这些纳米结构在纳米压痕研究中的机械性能使它们在本质上是坚固的。与温度相关的 NMR 研究证实了 CDPA 稳定共组装的形成，主要由分子间氢键相互作用驱动。CDPA 寡聚体及其与核苷/核苷酸的共组装的计算模型揭示了这种组装背后的分子水平相互作用和驱动力。CDPA 表现出良好的生物相容性和细胞相容性，细胞研究证实了它们对药物递送应用的适用性。研究了 CDPA 与抗癌药物 5-bromo-2'-deoxyuridine (BrdU) 的共组装作为药物递送平台，并在 HeLa 细胞中成功评估了细胞毒性。对 CDPA 的低聚物及其与药物分子的共组装进行了计算建模，以了解组装背后的分子水平相互作用和驱动力。
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