RNAsmc: A integrated tool for comparing RNA secondary structure and evaluating allosteric effects

Hong Wang; Xiaoyan Lu; Hewei Zheng; Wencan Wang; Guosi Zhang; Siyu Wang; Peng Lin; Youyuan Zhuang; Chong Chen; Qi Chen; Jia Qu; Liangde Xu

doi:10.1016/j.csbj.2023.01.007

RNAsmc: A integrated tool for comparing RNA secondary structure and evaluating allosteric effects

Comput Struct Biotechnol J. 2023 Jan 9:21:965-973. doi: 10.1016/j.csbj.2023.01.007. eCollection 2023.

Authors

Hong Wang^{1

2

3}, Xiaoyan Lu¹, Hewei Zheng⁴, Wencan Wang^{1

2

5}, Guosi Zhang^{1

2}, Siyu Wang^{1

2}, Peng Lin^{1

2}, Youyuan Zhuang^{1

2}, Chong Chen^{1

2}, Qi Chen^{1

2}, Jia Qu^{1

2

3}, Liangde Xu^{1

2

3}

Affiliations

¹ National Engineering Research Center of Ophthalmology and Optometry, Eye Hospital, Wenzhou Medical University, Wenzhou 325027, China.
² State Key Laboratory of Ophthalmology, Optometry and Visual Science, Eye Hospital, Wenzhou Medical University, Wenzhou 325027, China.
³ Center of Optometry International Innovation of Wenzhou, Eye Valley, Wenzhou 325027, China.
⁴ Wekemo Tech Group Co., Ltd. Shenzhen 518000, China.
⁵ Wenzhou Realdata Medical Research Co., Ltd, Wenzhou 325027, China.

Abstract

RNA structure plays a crucial role in gene regulation, in RNA stability and the essential biological processes. RNA secondary structure (RSS) motifs are the basic building blocks for investigating the biological mechanisms of structure. Here, we present a strategy for structural motif-based dynamic alignment, namely, RNA secondary-structural motif-comparing (RNAsmc), to identify structural motifs and quantitatively evaluate their underlying molecular functions. RNAsmc also has strong robustness to sequence length, folding protocol and RNA structural profile by chemical probing. Notably, it is also applicable to quantify structural variation in special RNA editing events (SNVs or SNPs, fragment insertion or deletion, etc.). The findings indicate that RNAsmc can uncover the heterogeneity of RNA secondary structure and score for similarities among components, which provides an impetus to cluster RNA families and evaluate allosteric effects. We find that RNAsmc exhibits remarkable detection efficiency for experimentally-derived RiboSNitches. Finally, the pipeline was assembled into an R software package to serve as an automated toolkit to explore, align, and cluster RSS. It is freely available for download at https://CRAN.R-project.org/package=RNAsmc.

Keywords: Allosteric effect; Family classification; RNA secondary structure; RiboSNitches; Structure comparing.