Virtual screening, synthesis, and bioactivity evaluation for the discovery of β‐ N ‐acetyl‐D‐hexosaminidase inhibitors

Insights into the structure-affinity relationships and solvation effects between OfHex1 and inhibitors using molecular dynamics simulations

(2019) Song Hu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Pocket-based Lead Optimization Strategy for the Design and Synthesis of Chitinase Inhibitors

(2019) Yawen Dong et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Natural Product Neopeltolide as a Cytochrome bc1 Complex Inhibitor: Mechanism of Action and Structural Modification

(2019) Xiao-Lei Zhu et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Computational Study for the Unbinding Routes of β-N-Acetyl-d-Hexosaminidase Inhibitor: Insight from Steered Molecular Dynamics Simulations

(2019) Song Hu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structure-Based Virtual Screening, Compound Synthesis, and Bioassay for the Design of Chitinase Inhibitors

(2018) Yawen Dong et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Design and synthesis of thiazolylhydrazone derivatives as inhibitors of chitinolytic N-acetyl-β-d-hexosaminidase

(2018) Huibin Yang et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Glycosyl triazoles as novel insect β-N-acetylhexosaminidase OfHex1 inhibitors: Design, synthesis, molecular docking and MD simulations

(2018) Lili Dong et al.   BIOORGANIC & MEDICINAL CHEMISTRY

MouseTox: An online toxicity assessment tool for small molecules through Enalos Cloud platform

(2017) Dimitra-Danai Varsou et al.   FOOD AND CHEMICAL TOXICOLOGY

Microbial Secondary Metabolite, Phlegmacin B1, as a Novel Inhibitor of Insect Chitinolytic Enzymes

(2017) Lei Chen et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Structure-Based Discovery of Potential Fungicides as Succinate Ubiquinone Oxidoreductase Inhibitors

(2017) Li Xiong et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Discovery of Potent Succinate-Ubiquinone Oxidoreductase Inhibitors via Pharmacophore-linked Fragment Virtual Screening Approach

(2016) Li Xiong et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

ACFIS: a web server for fragment-based drug discovery

(2016) Ge-Fei Hao et al.   NUCLEIC ACIDS RESEARCH

Modifying the phenyl group of PUGNAc: reactivity tuning to deliver selective inhibitors for N-acetyl-d-glucosaminidases

(2016) Mitchell Hattie et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Exploring NAG-thiazoline and its derivatives as inhibitors of chitinolytic β-acetylglucosaminidases

(2014) Tian Liu et al.   FEBS LETTERS

The carbohydrate-active enzymes database (CAZy) in 2013

(2013) Vincent Lombard et al.   NUCLEIC ACIDS RESEARCH

Cloning, expression and biocharacterization ofOfCht5, the chitinase from the insectOstrinia furnacalis

(2012) Qingyue Wu et al.   Insect Science

Chitin synthesis inhibitors: old molecules and new developments

(2012) Hans Merzendorfer   Insect Science

Active-pocket size differentiating insectile from bacterial chitinolytic β-N-acetyl-D-hexosaminidases

(2011) Tian Liu et al.   BIOCHEMICAL JOURNAL

A Comparative Study on the Constitutive Properties of Marketed Pesticides

(2011) Gefei Hao et al.   Molecular Informatics

Structural Determinants of an Insect β-N-Acetyl-d-hexosaminidase Specialized as a Chitinolytic Enzyme

(2010) Tian Liu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY