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High-throughput screening for amyloid-β binding natural small-molecules based on the combinational use of biolayer interferometry and UHPLC−DAD-Q/TOF-MS/MS

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Acta Pharmaceutica Sinica B 2022年第4期12卷 1723-1739页

作者： Minsong Guo Fengdan Zhu Wenqiao Qiu Gan Qiao Betty Yuen-Kwan Law Lu Yu Jianming Wu Yong Tang Chonglin Yu Dalian Qin Xiaogang Zhou Anguo Wu Sichuan Key Medical Laboratory of New Drug Discovery and Druggability Evaluation Luzhou Key Laboratory of Activity Screening and Druggability Evaluation for Chinese Materia MedicaSchool of PharmacyEducation Ministry Key Laboratory of Medical ElectrophysiologySouthwest Medical UniversityLuzhou 646000China State Key Laboratory of Quality Research in Chinese Medicine Macao University of Science and TechnologyTaipaMacao 999078China Department of Neurosurgery Sichuan Provincial People’s Hospital University of Electronic Science and Technology of ChinaChengdu 610000China

Discovery of drugs rapidly and effectively is an important aspect for Alzheimer's disease(AD).In this study,a novel high-throughput screening(HTS)method aims at screening the small-molecules with amyloid-β(Aβ)binding affinity from natural medicines,based on the combinational use of biolayer interferometry(BLI)and ultra-high-performance liquid chromatography coupled with diode-array detector and quadrupole/time-of-flight tandem mass spectrometry(UHPLC−DAD-Q/TOF-MS/MS)has been firstly ***,the components in natural medicines disassociated from biotinylated Aβwere collected to analyze their potential Aβbinding affinity by UHPLC−DAD-Q/TOF-MS/***,baicalein was confirmed to exhibit the highest binding affinity with Aβin Scutellaria ***,polyporenic acid C(PPAC),dehydrotumulosic acid(DTA),and tumulosic acid(TA)in Kai-Xin-San(KXS)were also identified as potent Aβ*** bioactivity validations indicated that these compounds could inhibit Aβfibrillation,improve the viability in Aβ-induced PC-12 cells,and decrease the Aβcontent and improve the behavioral ability in Caenorhabditis *** molecular docking results confirmed that PPAC,DTA,and TA possessed good binding properties with Aβ.Collectively,the present study has provided a novel and effective HTS method for the identification of natural inhibitors on Aβfibrillation,which may accelerate the process on anti-AD drugs discovery and development.

关键词： Alzheimer’s disease High-throughput screening biolayer interferometry UHPLCDAD-Q/TOFMS/MS Kai-Xin-San

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Exploring the taste presentation and receptor perception mechanism of salty peptides from Stropharia rugosoannulata based on molecular dynamics and thermodynamics simulation

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Food Science and Human Wellness 2024年第4期13卷 2277-2288页

作者： Wen Li Shuai Sun Wanchao Chen Haile Ma Tingzhao Li Zhong Zhang Di Wu Mengqiu Yan Yan Yang Institute of Edible Fungi Shanghai Academy of Agricultural SciencesNational Engineering Research Center of Edible FungiKey Laboratory of Edible Fungi Resources and Utilization(South)Ministry of Agriculture and Rural AffairsShanghai 201403China School of Food&Biological Engineering Institute of Food Physical ProcessingJiangsu UniversityZhenjiang 212013China Amway(Shanghai)Innovation&Science Co. Ltd.Shanghai 201203China Amway(China)Botanical R&D Center Wuxi 214115China

The taste presentation and receptor perception mechanism of the salty peptide of Stropharia rugosoannulata were predicted and verified using peptide omics and molecular interaction *** combination of aspartic acid(D)and glutamic acid(E),or peptide fragments composed of arginine(R),constitute the characteristic taste structural basis of salty peptides of *** taste intensity of the salty peptide positively correlates with its concentration within a specific concentration range(0.25–1.0 mg/mL).The receptor more easily recognizes the first amino acid residue at the N-terminal of salty peptides and the aspartic acid residue in the ***513,ASP707,and VAL508 are the critical amino acid residues for the receptor to recognize salty ***1 is specifically the receptor for recognizing salty *** bonds and electrostatic interactions are the main driving forces for the interactions between salty peptides and TRPV1 *** has the most potent binding capacity with the receptor and has tremendous potential for application in sodium salt *** study confirmed the taste receptor that specifically recognizes salty peptides,analyzed the receptor-peptide binding interaction,and provided a new idea for understanding the taste receptor perception of salty peptides.

关键词： Salty peptide Molecular docking biolayer interferometry Isothermal titration calorimetry

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Development of a Label-Free Colorimetric Aptasensor with Rationally Utilized Aptamer for Rapid Detection of Okadaic Acid

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Journal of Ocean University of China 2022年第2期21卷 400-408页

作者： YAN Xiaochen QI Xiaoyan ZHAO Yinglin LI Ling MA Rui WANG Lele WANG Sai MAO Xiangzhao College of Food Science and Engineering Ocean University of ChinaQingdao 266003China Laboratory for Marine Drugs and Bioproducts of Qingdao National Laboratory for Marine Science and Technology Qingdao 266237China

Okadaic acid(OA)is a typical marine toxin with strong toxicity causing diarrheic shellfish poisoning(DSP).Aptamers show great advantages in toxin detection and attract increasing attentions in the field of food *** this study,a label-free col-orimetric aptasensor was constructed for visual and rapid detection of OA in *** exploit the binding capability of the anti-OA aptamer,the inherent molecular recognition mechanism of aptamer and OA was studied,based on molecular docking,fluorescent assay,and biolayer *** results showed that the stem-loop near the 3’terminal of the aptamer exhibit dominate binding *** on the revealed recognition information,the aptamer was thus rationally utilized and combined with AuNPs and cationic polymer polydiallyl dimethyl ammonium chloride(PDDA)for the development of the label-free colorimetric aptasensor,in which the 3’terminal was thoroughly exposed to *** aptasensor provided robust performance with a linear detection range of 100-1200 nmol L-1,a limit of detection of 41.30 nmol L-1,recovery rates of 91.6%-106.2%,as well as a high selectivity towards OA in shellfish *** whole detection process can be completed within 1 *** our best knowledge,this is the first time that the anti-OA aptamer was thoroughly studied,and a label-free colorimetric aptasensor was rationally designed in this *** study not only provides a rapid detection method for highly sensitive and specific detection of OA,but also serves as a reference for the design of efficient aptasensors in the future.

关键词： aptamer okadaic acid colorimetric aptasensor molecular docking fluorescent assay biolayer interferometry

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