2. Academic Validation
  3. Identification of Triazolo-quinazolinone Derivatives as Novel and Potent Chitinase Of Chi-h Inhibitors Based on Structure-Based Virtual Screening

Identification of Triazolo-quinazolinone Derivatives as Novel and Potent Chitinase Of Chi-h Inhibitors Based on Structure-Based Virtual Screening

  • J Agric Food Chem. 2023 Nov 1. doi: 10.1021/acs.jafc.3c02701.
Lili Dong 1,  Shengqiang Shen 2,  Xi Jiang 3 4,  Baokang Ding 1,  Meiling Yang 1,  Wei Chen 3,  Yaxin Liu 1,  Ziyang Chen 1,  Qingnan Cao 1,  Yongming Gao 1,  Shujie Ma 1,  Lihui Zhang 1,  Jingao Dong 1,  Qing Yang 3 4
Affiliations

Affiliations

  • 1 College of Plant Protection/State Key Laboratory of North China Crop Improvement and Regulation, Hebei Agricultural University, Baoding, Hebei 071001, People's Republic of China.
  • 2 Tingo Exosomes Technology Company, Limited, Tianjin 300301, People's Republic of China.
  • 3 State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, People's Republic of China.
  • 4 Guangdong Laboratory for Lingnan Modern Agriculture (Shenzhen Branch), Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences, Shenzhen, Guangdong 518120, People's Republic of China.
PMID: 37909051 DOI: 10.1021/acs.jafc.3c02701
Abstract

Insect chitinase, OfChi-h, from Ostrinia furnacalis, is considered as a promising target for the development of green pesticides. On the basis of the crystal structure of OfChi-h, we successfully obtained a triazolo-quinazolinone scaffold as the novel class of OfChi-h inhibitor via a structure-based virtual screening approach. Rational compound screening enabled us to acquire a potent OfChi-h inhibitor TQ19 with a Ki value of 0.33 μM. Furthermore, the in vivo biological activity of target compounds was assayed. The results showed that compounds TQ8 and TQ19 could dramatically inhibit the growth and development of Ostrinia nubilalis larvae, and most of the compounds showed higher insecticidal activity than hexaflumuron. This present work reveals that triazolo-quinazolinone derivatives can serve as novel candidates for insect growth regulators.

Keywords

OfChi-h; Ostrinia furnacalis; chitinase; triazolo-quinazolinone; virtual screening.

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