Results 1 to 10 of about 1,721,329 (334)

Cyclic peptide structure prediction and design using AlphaFold2. [PDF]

Nat Commun
Small cyclic peptides have gained significant traction as a therapeutic modality; however, the development of deep learning methods for accurately designing such peptides has been slow, mostly due to the lack of sufficiently large training sets. Here, we
Rettie SA, Campbell KV, Bera AK, Kang A, Kozlov S, Bueso YF, De La Cruz J, Ahlrichs M, Cheng S, Gerben SR, Lamb M, Murray A, Adebomi V, Zhou G, DiMaio F, Ovchinnikov S, Bhardwaj G.   +16 more
europepmc   +4 more sources

Rapid in silico Design of Potential Cyclic Peptide Binders Targeting Protein-Protein Interfaces

Frontiers in Chemistry, 2020
Rational design of specific inhibitors of protein-protein interactions is desirable for drug design to control cellular signal transduction but also for studying protein-protein interaction networks.
Brianda L. Santini, Martin Zacharias
doaj   +2 more sources

Identification of a novel and high-affinity cyclic peptide targeting Keap1 for inflammation treatment by a combined virtual screening strategy [PDF]

Journal of Enzyme Inhibition and Medicinal Chemistry
Inhibition of the Keap1-Nrf2 protein-protein interaction with cyclic peptides represents an attractive strategy to treat inflammation. However, the cyclic peptides for this inhibition are constrained by their low affinity. In this study, the peptides 1-6
Shenglin Gao, Xiaokai Shi, Shudan Yang, Yuting Wang, Qian Wang, Minyan Yang   +5 more
doaj   +2 more sources

Heuristic energy-based cyclic peptide design. [PDF]

PLoS Computational Biology
Rational computational design is crucial to the pursuit of novel drugs and therapeutic agents. Meso-scale cyclic peptides, which consist of 7-40 amino acid residues, are of particular interest due to their conformational rigidity, binding specificity ...
Qiyao Zhu, Vikram Khipple Mulligan, Dennis Shasha   +2 more
doaj   +2 more sources

Cyclic Peptide-Based Sirtuin Substrates [PDF]

Molecules, 2019
In the current study, four side chain-to-side chain cyclic peptides (three 5-mers and one 4-mer) harboring Nε-acetyl-lysine or Nε-myristoyl-lysine were found to be in vitro substrates of the human SIRT1/2/3-catalyzed deacylation with good ...
Di Chen, Lingling Yan, Weiping Zheng
doaj   +3 more sources

MultiCycPermea: accurate and interpretable prediction of cyclic peptide permeability using a multimodal image-sequence model [PDF]

BMC Biology
Background Cyclic peptides, known for their high binding affinity and low toxicity, show potential as innovative drugs for targeting “undruggable” proteins. However, their therapeutic efficacy is often hindered by poor membrane permeability.
Zixu Wang, Yangyang Chen, Yifan Shang, Xiulong Yang, Wenqiong Pan, Xiucai Ye, Tetsuya Sakurai, Xiangxiang Zeng   +7 more
doaj   +2 more sources

Cyclic peptide membrane permeability prediction using deep learning model based on molecular attention transformer [PDF]

Frontiers in Bioinformatics
Membrane permeability is a critical bottleneck in the development of cyclic peptide drugs. Experimental membrane permeability testing is costly, and precise in silico prediction tools are scarce.
Dawei Jiang, Zixi Chen, Zixi Chen, Hongli Du   +3 more
doaj   +2 more sources

Research Progress on Cyclic-Peptide Functionalized Nanoparticles for Tumor-Penetrating Delivery [PDF]

International Journal of Nanomedicine
Chenkai Wang,1,2 Zefan Shen,1,2 Yiyang Chen,1,2 Yifan Wang,2 Xuanyi Zhou,2 Xinyi Chen,1 Yuhang Li,2 Pu Zhang,2 Qi Zhang2 1The Second Clinical Medical College, Zhejiang Chinese Medical University, Hangzhou, People’s Republic of China; 2Urology ...
Wang C, Shen Z, Chen Y, Wang Y, Zhou X, Chen X, Li Y, Zhang P, Zhang Q   +8 more
doaj   +2 more sources

Plant derived cyclic peptides [PDF]

Biochemical Society Transactions, 2021
Cyclic peptides are widespread throughout the plant kingdom, and display diverse sequences, structures and bioactivities. The potential applications attributed to these peptides and their unusual biosynthesis has captivated the attention of researchers for many years.
Norelle L. Daly, David T. Wilson
openaire   +3 more sources

A cyclic peptide-based PROTAC induces intracellular degradation of palmitoyltransferase and potently decreases PD-L1 expression in human cervical cancer cells

Frontiers in Immunology, 2023
IntroductionOur previous research has found that degradation of palmitoyltransferase in tumor cells using a linear peptide PROTAC leads to a significant decrease in PD-L1 expression in tumors.
Yu-Ying Shi, Di-Rong Dong, Gang Fan, Meng-Yuan Dai, Miao Liu   +4 more
doaj   +1 more source