![]() ![]() In the present study, the most recent advances in the field of in silico approaches for the design of interfering peptides against PPIs will be reviewed. High-throughput screening of large peptide libraries against PPIs “hotspot” identification structure-based and off-structure approaches of peptide design 3D peptide modeling peptide optimization strategies like cyclization and peptide binding energy evaluation are among the capabilities of in silico tools. Moreover, different databases and software tools have been created to predict the peptide structures and their interactions with target protein complexes. Various algorithms have been developed to scrutinize the PPI interfaces. In silico tools have recently become an inevitable approach for the design and optimization of these interfering peptides. Given these promising properties, a long way has been covered in the field of targeting PPIs via peptide design strategies. Peptides are intrinsically capable of exploring larger surfaces, stable, and bioavailable, and therefore bear a high therapeutic value in the treatment of various diseases, including cancer, infectious diseases, and neurodegenerative diseases. Large contact surfaces of protein–protein interactions (PPIs) remain to be an ongoing issue in the discovery and design of small molecule modulators. 10Department of Biology Sciences, Shahid Rajaee Teacher Training University, Tehran, Iran.9Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.8Applied Microbiology Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran.7Department of Research and Production of Poultry Viral Vaccine, Razi Vaccine and Serum Research Institute, Agricultural Research Education and Extension Organization, Karaj, Iran.6Department of Biochemistry, Guilan University of Medical Sciences, Rasht, Iran.5Cellular and Molecular Research Center, Faculty of Medicine, Guilan University of Medical Sciences, Rasht, Iran.4Department of Medical Biotechnology, Faculty of Medical Sciences, Tarbiat Modares University, Tehran, Iran.3Department of Cellular and Molecular Biology, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran.2Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.1ATMP Department, Breast Cancer Research Center, Motamed Cancer Institute, Academic Center for Education, Culture and Research, Tehran, Iran.Zahra Sadat Hashemi 1 Mahboubeh Zarei 2 Mohsen Karami Fath 3 Mahmoud Ganji 4 Mahboube Shahrabi Farahani 4 Fatemeh Afsharnouri 4 Navid Pourzardosht 5,6 Bahman Khalesi 7 Abolfazl Jahangiri 8 Mohammad Reza Rahbar 9 Saeed Khalili 10* ![]()
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