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Generation of functional oligopeptides that promote osteogenesis based on unsupervised deep learning of protein IDRs
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作者 mingxiang cai Baichuan Xiao +12 位作者 Fujun Jin Xiaopeng Xu Yuwei Hua Junhui Li Pingping Niu Meijing Liu Jiaqi Wu Rui Yue Yong Zhang Zuolin Wang Yongbiao Zhang Xiaogang Wang Yao Sun 《Bone Research》 SCIE CAS CSCD 2022年第2期354-366,共13页
Deep learning(DL)is currently revolutionizing peptide drug development due to both computational advances and the substantial recent expansion of digitized biological data.However,progress in oligopeptide drug develop... Deep learning(DL)is currently revolutionizing peptide drug development due to both computational advances and the substantial recent expansion of digitized biological data.However,progress in oligopeptide drug development has been limited,likely due to the lack of suitable datasets and difficulty in identifying informative features to use as inputs for DL models.Here,we utilized an unsupervised deep learning model to learn a semantic pattern based on the intrinsically disordered regions of~171 known osteogenic proteins.Subsequently,oligopeptides were generated from this semantic pattern based on Monte Carlo simulation,followed by in vivo functional characterization.A five amino acid oligopeptide(AIB5P)had strong bone-formation-promoting effects,as determined in multiple mouse models(e.g.,osteoporosis,fracture,and osseointegration of implants).Mechanistically,we showed that AIB5P promotes osteogenesis by binding to the integrinα5 subunit and thereby activating FAK signaling.In summary,we successfully established an oligopeptide discovery strategy based on a DL model and demonstrated its utility from cytological screening to animal experimental verification. 展开更多
关键词 FUNCTIONAL thereby utilized
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