Results 11 to 20 of about 2,011,052 (344)

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   +3 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

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

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

Cyclic peptide structure prediction and design using AlphaFold

bioRxiv, 2023
Deep learning networks offer considerable opportunities for accurate structure prediction and design of biomolecules. While cyclic peptides have gained significant traction as a therapeutic modality, developing deep learning methods for designing such ...
Stephen A. Rettie, Katelyn V. Campbell, A. Bera, A. Kang, Simon Kozlov, Joshmyn De La Cruz, V. Adebomi, Guangfeng Zhou, F. DiMaio, S. Ovchinnikov, G. Bhardwaj   +10 more
semanticscholar   +1 more source

The cyclic peptide G4CP2 enables the modulation of galactose metabolism in yeast by interfering with GAL4 transcriptional activity

Frontiers in Molecular Biosciences, 2023
Genetically-encoded combinatorial peptide libraries are convenient tools to identify peptides to be used as therapeutics, antimicrobials and functional synthetic biology modules. Here, we report the identification and characterization of a cyclic peptide,
Stefano Rosa, Andrea Tagliani, Chiara Bertaso, Luca Tadini, Cristina Visentin, Louise Jane Gourlay, Sabrina Pricl, Sabrina Pricl, Lucia Feni, Sara Pellegrino, Paolo Pesaresi, Simona Masiero   +11 more
doaj   +1 more source

Cyclic peptide drugs approved in the last two decades (2001–2021)

RSC Chemical Biology, 2021
In contrast to the major families of small molecules and antibodies, cyclic peptides, as a family of synthesizable macromolecules, have distinct biochemical and therapeutic properties for pharmaceutical applications.
Huiya Zhang, Shiyu Chen
semanticscholar   +1 more source

Efficient 3D conformer generation of cyclic peptides formed by a disulfide bond

Journal of Cheminformatics, 2022
Cyclic peptides formed by disulfide bonds have been one large group of common drug candidates in drug development. Structural information of a peptide is essential to understand its interaction with its target.
Huanyu Tao, Qilong Wu, Xuejun Zhao, Peicong Lin, Sheng-You Huang   +4 more
doaj   +1 more source

Cyclic Opioid Peptides [PDF]

Current Medicinal Chemistry, 2016
For decades the opioid receptors have been an attractive therapeutic target for the treatment of pain. Since the first discovery of enkephalin, approximately a dozen endogenous opioid peptides have been known to produce opioid activity and analgesia, but their therapeutics have been limited mainly due to low blood brain barrier penetration and poor ...
Michael, Remesic, Yeon Sun, Lee, Victor J, Hruby   +2 more
openaire   +2 more sources