Lau J L, Dunn M K. Therapeutic peptides: Historical perspectives, current development trends, and future directions [J]. Bioorganic & Medicinal Chemistry, 2018, 26(10): 2700–2707.

Article  Google Scholar 

Adrover-Castellano M L, Schmidt J J, Sherman D H. Biosynthetic cyclization catalysts for the assembly of peptide and polyketide natural products [J]. ChemCatChem, 2021, 13(9): 2095–2116.

Article  Google Scholar 

Zhang H Y, Chen S Y. Cyclic peptide drugs approved in the last two decades (2001-2021) [J]. RSC Chemical Biology, 2022, 3(1): 18–31.

Article  Google Scholar 

Buckton L K, Rahimi M N, McAlpine S R. Cyclic peptides as drugs for intracellular targets: The next frontier in peptide therapeutic development [J]. Chemistry-A European Journal, 2021, 27(5): 1487–1513.

Article  Google Scholar 

Chow H Y, Zhang Y, Matheson E, et al. Ligation technologies for the synthesis of cyclic peptides [J]. Chemical Reviews, 2019, 119(17): 9971–10001.

Article  Google Scholar 

Amacher J F, Antos J M. Sortases: Structure, mechanism, and implications for protein engineering [J]. Trends in Biochemical Sciences, 2024, 49(7): 596–610.

Article  Google Scholar 

Tang TMS, Luk L Y P. Asparaginyl endopeptidases: Enzymology, applications and limitations [J]. Organic & Biomolecular Chemistry, 2021, 19(23): 5048–5062.

Article  Google Scholar 

Jackson D Y, Burnier J P, Wells J A. Enzymic cyclization of linear peptide esters using subtiligase [J]. Journal of the American Chemical Society, 1995, 117(2): 819–820.

Article  Google Scholar 

Toplak A, Nuijens T, Quaedflieg P J L M, et al. Peptiligase, an enzyme for efficient chemoenzymatic peptide synthesis and cyclization in water [J]. Advanced Synthesis & Catalysis, 2016, 358(13): 2140–2147.

Article  Google Scholar 

Kuranaga T, Matsuda K, Sano A, et al. Total synthesis of the nonribosomal peptide Surugamide B and identification of a new offloading cyclase family [J]. Angewandte Chemie International Edition, 2018, 57(30): 9447–9451.

Article  Google Scholar 

Zhou Y J, Lin X, Xu C M, et al. Investigation of penicillin binding protein (PBP)-like peptide cyclase and hydrolase in surugamide non-ribosomal peptide biosynthesis [J]. Cell Chemical Biology, 2019, 26(5): 737–744.

Article  Google Scholar 

Fazal A, Wheeler J, Webb M E, et al. The N-terminal substrate specificity of the SurE peptide cyclase [J]. Organic & Biomolecular Chemistry, 2022, 20(36): 7232–7235.

Article  Google Scholar 

Budimir Z L, Patel R S, Eggly A, et al. Biocatalytic cyclization of small macrolactams by a penicillin-binding protein-type thioesterase [J]. Nature Chemical Biology, 2024, 20(1): 120–128.

Article  Google Scholar 

Matsuda K, Zhai R, Mori T, et al. Heterochiral coupling in non-ribosomal peptide macrolactamization [J]. Nature Catalysis, 2020, 3(6): 507–515.

Article  Google Scholar 

Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 16, Revision C.01 [CP]. Wallingford: Gaussian, Inc., 2016.

Google Scholar 

Lu T. A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn [J]. The Journal of Chemical Physics, 2024, 161(8): 082503.

Article  Google Scholar 

Morris G M, Huey R, Lindstrom W, et al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility [J]. Journal of Computational Chemistry, 2009, 30(16): 2785–2791.

Article  Google Scholar 

Krautler V, van Gunsteren W F, Hunenberger P H. A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations [J]. Journal of Computational Chemistry, 2001, 22(5): 501–508.

Article  Google Scholar 

Darden T, York D, Pedersen L. Particle mesh Ewald: An N · log(N) method for Ewald sums in large systems [J]. The Journal of Chemical Physics, 1993, 98(12): 10089–10092.

Article  Google Scholar 

Case D A, Aktulga H M, Belfon K, et al. AmberTools [J]. Journal of Chemical Information and Modeling, 2023, 63(20): 6183–6191.

Article  Google Scholar 

Roe D R, Cheatham T E III. PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data [J]. Journal of Chemical Theory and Computation, 2013, 9(7): 3084–3095.

Article  Google Scholar