Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations DOI Open Access
Billy J. Williams‐Noonan, Alexa Kamboukos, Nevena Todorova

и другие.

Chemical Physics Reviews, Год журнала: 2023, Номер 4(2)

Опубликована: Апрель 21, 2023

Peptide self-assembly is the process by which peptide molecules aggregate into low dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug delivery to electronics. Short peptides are particularly good candidates for forming supramolecular assemblies due relatively simple structure and ease of modulating their achieve required material properties. The experimental resolution fibrous peptide-based nanomaterials as atomic coordinates remains challenging. For surface-mediated assembly in particular, it typically not feasible resolve multiple conformationally distinct surface bound structures experiment. mechanisms also remain elusive interchange complex interactions time length scales involved process. solution, mediated surfaces, driven specific between water, competing within and/or units and, latter case, an interplay solvent adsorption onto a proximal surface. Computational methodologies have proven beneficial elucidating formed during molecular driving it, hence scope facilitating development functional medical biotechnological applications. In this perspective, computational methods that provided insights formation biomaterials, all-atom-resolved presented. Established recently emerged simulation approaches reviewed focus on relevant assembly, including all-atom coarse-grained “brute force” dynamics well enhanced sampling methodologies: umbrella sampling, steered replica exchange dynamics, variants metadynamics. These been shown contribute details yet available experimentally, advance our understanding processes biomaterial formation. review includes summary current state methods, terms strengths limitations application self-assembling biomaterials.

Язык: Английский

In Situ Self-Sorting Peptide Assemblies in Living Cells for Simultaneous Organelle Targeting DOI
Xin Liu, Mingming Li,

Juanzu Liu

и другие.

Journal of the American Chemical Society, Год журнала: 2022, Номер 144(21), С. 9312 - 9323

Опубликована: Май 19, 2022

Self-sorting is a common phenomenon in eukaryotic cells and represents one of the versatile strategies for formation advanced functional materials; however, developing artificial self-sorting assemblies within living remains challenging. Here, we report on GSH-responsive situ peptide cancer simultaneous organelle targeting to promote combinatorial dysfunction thereby cell death. The system was created via design two peptides E3C16E6 EVMSeO derived from lipid-inspired interdigitating amphiphiles bola-amphiphiles, respectively. distinct organization patterns facilitate their GSH-induced into isolated nanofibrils as result cleavage disulfide-connected hydrophilic domains or reduction selenoxide groups. HeLa directly characterized by super-resolution structured illumination microscopy. Incorporation thiol ER-targeting groups self-sorted endows endoplasmic reticulum Golgi apparatus, thus leading Our results demonstrate establishment cells, providing unique platform drug delivery an alternative strategy modulating biological processes future.

Язык: Английский

Процитировано

59
Self-Amplifying Assembly of Peptides in Macrophages for Enhanced Inflammatory Treatment DOI
Yanqiu Song, Mingming Li, Na Song

и другие.

Journal of the American Chemical Society, Год журнала: 2022, Номер 144(15), С. 6907 - 6917

Опубликована: Апрель 7, 2022

Enzyme-regulated in situ self-assembly of peptides represents one versatile strategy the creation theranostic agents, which, however, is limited by strong dependence on enzyme overexpression. Herein, we reported self-amplifying assembly precisely macrophages associated with expression for improving anti-inflammatory efficacy conventional drugs. The assembling system was created via coassembling an enzyme-responsive peptide its derivative functionalized a protein ligand. Reduction NAD(P)H quinone dehydrogenase 1 (NQO1) led to formation nanofibers high affinity protein, thereby facilitating NQO1 expression. improved level conversely promoted into nanofibers, thus establishing amplifying relationship between and macrophages. Utilization as vehicles drug dexamethasone allowed passive targeting delivery acute injured lungs. Both vitro vivo studies confirmed capability enhance simultaneous alleviation reactive oxygen species side effect downregulation proinflammatory cytokines. Our findings demonstrate manipulation living cells regular self-amplification process, providing unique supramolecular agents cells.

Язык: Английский

Процитировано

47
Precise Assembly of Proteins and Carbohydrates for Next-Generation Biomaterials DOI
Long Li, Guosong Chen

Journal of the American Chemical Society, Год журнала: 2022, Номер 144(36), С. 16232 - 16251

Опубликована: Авг. 31, 2022

The complexity and diversity of biomacromolecules make them a unique class building blocks for generating precise assemblies. They are particularly available to new generation biomaterials integrated with living systems due their intrinsic properties such as accurate recognition, self-organization, adaptability. Therefore, many excellent approaches have been developed, leading variety quite practical outcomes. Here, we review recent advances in the fabrication application artificially assemblies by employing proteins carbohydrates blocks, followed our perspectives on some challenges, goals, opportunities future research directions this field.

Язык: Английский

Процитировано

40
A comprehensive review on peptide-bearing biomaterials: From ex situ to in situ self-assembly DOI
Si‐Yong Qin, Jiaqi Feng, Yin‐Jia Cheng

и другие.

Coordination Chemistry Reviews, Год журнала: 2023, Номер 502, С. 215600 - 215600

Опубликована: Дек. 14, 2023

Язык: Английский

Процитировано

38
Recent advance in tailoring the structure and functions of self-assembled peptide nanomaterials for biomedical applications DOI

Danzhu Zhu,

Hao Kong, Zhen‐Gang Sun

и другие.

Coordination Chemistry Reviews, Год журнала: 2023, Номер 494, С. 215374 - 215374

Опубликована: Авг. 4, 2023

Язык: Английский

Процитировано

37
Fmoc-diphenylalanine gelating nanoarchitectonics: A simplistic peptide self-assembly to meet complex applications DOI
Yunxiao Wang, Qiang Geng, Yan Zhang

и другие.

Journal of Colloid and Interface Science, Год журнала: 2023, Номер 636, С. 113 - 133

Опубликована: Янв. 3, 2023

Язык: Английский

Процитировано

35
Unnatural helical peptidic foldamers as protein segment mimics DOI Creative Commons
Peng Sang,

Jianfeng Cai

Chemical Society Reviews, Год журнала: 2023, Номер 52(15), С. 4843 - 4877

Опубликована: Янв. 1, 2023

Unnatural helical peptidic foldamers have attracted considerable attention owing to their unique folding behaviours, diverse artificial protein binding mechanisms, and promising applications in chemical, biological, medical, material fields. Unlike the conventional α-helix consisting of molecular entities native α-amino acids, unnatural are generally comprised well-defined backbone conformers with structural parameters. Their folded structures usually arise from amino acids such as

Язык: Английский

Процитировано

28
Two-dimensional peptide nanosheets functionalized with gold nanorods for photothermal therapy of tumors DOI
Hao Kong,

Jinru Han,

Ming Yang

и другие.

Journal of Materials Chemistry B, Год журнала: 2023, Номер 11(15), С. 3445 - 3452

Опубликована: Янв. 1, 2023

Self-assembled peptide nanosheets functionalized with gold nanorods provide a functional nanoplatform for photothermal therapy of tumors.

Язык: Английский

Процитировано

27
Towards glycan foldamers and programmable assemblies DOI

Surusch Djalali,

Nishu Yadav,

Martina Delbianco

и другие.

Nature Reviews Materials, Год журнала: 2024, Номер 9(3), С. 190 - 201

Опубликована: Фев. 5, 2024

Язык: Английский

Процитировано

16
Three‐in‐One Peptide Prodrug with Targeting, Assembly and Release Properties for Overcoming Bacterium‐Induced Drug Resistance and Potentiating Anti‐Cancer Immune Response DOI
Ge Gao, Yao‐Wen Jiang, Jiaxuan Chen

и другие.

Advanced Materials, Год журнала: 2024, Номер 36(23)

Опубликована: Март 6, 2024

The presence of bacteria in tumor results chemotherapeutic drug resistance and weakens the immune response colorectal cancer. To overcome bacterium-induced potentiate antitumor immunity, herein a novel molecule Biotin-Lys(SA-Cip-OH)-Lys(SA-CPT)-Phe-Phe-Nap (Biotin-Cip-CPT-Nap) is rationally designed containing four functional motifs (i.e., biotin motif for targeting, Phe-Phe(-Nap) self-assembly, ciprofloxacin derivative (Cip-OH) antibacterial effect, camptothecin (CPT) chemotherapy). Using molecule, strategy intracellular enzymatic nanofiber formation synergistic antibacterium-enhanced chemotherapy immunotherapy achieved. Under endocytosis mediated by highly expressed receptor cancer cell membrane catalysis carboxylesterase cytoplasm, this can be transformed into Biotin-Nap, which self-assembled nanofibers. Meanwhile, antibiotic Cip-OH CPT are released, overcoming enhancing therapeutic efficacy towards This work offers feasible design multifunctional prodrugs to improve efficiency treatment.

Язык: Английский

Процитировано

15