Xin Mao

Queensland University of Technology

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A convenient cell fusion assay for the study of SARS‐CoV entry and inhibition

IUBMB Life (2006)

Yonggang Sha Ying-Liang Wu Zhi-Jian Cao Xiu-Ling Xu Wen‐Lan Wu

Abstract SARS‐CoV spike (S) protein‐mediated cell fusion is important for the viral entry mechanism and identification of SARS‐CoV entry inhibitors. In order to avoid the high risks involved in handling SARS‐CoV and to facilitate the study of viral fusion mechanism, we established the cell lines: SR‐COS7 cells that stably express both SARS‐CoV S protein and red fluorescence protein, R‐COS7 cells that stably express red fluorescence protein, and AG‐COS7 cells that stably express both ACE2 and green fluorescence protein, respectively. When SR‐COS7 cells or R‐COS7 cells were cocultured with AG‐COS7 cells, syncytia with yellow fluorescence were conveniently observed after 12 h in SR‐COS7 cells plus AG‐COS7 cells, but not in R‐COS7 cells plus AG‐COS7 cells. The cell‐to‐cell fusion efficiency was simply determined for quantitative analysis based on the number of syncytium detected by flow cytometry. Such new cell‐to‐cell fusion model was further assessed by the potent HR2 peptide inhibitor, which led to the obvious decrease of the cell‐to‐cell fusion efficiency. The successful fusion and inhibition of cell‐based binding assay shows that it can be well used for the study of SARS‐CoV entry and inhibition. iubmb Life, 58: 480 ‐ 486, 2006

2019-20 coronavirus outbreak

Cell fusion

10.1080/15216540600820974

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Citations (13)

Correction to: A DFT study on the mechanism of the organocatalytic synthesis of a benzoxazine-substituted indolizine derivative

Journal of Molecular Modeling (2019)

Xin Mao Sufan Wang Yongjia Shang

Indolizine

Derivative (finance)

10.1007/s00894-019-4272-4

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Citations (0)

Enhanced ORR Activity of Carbon Defects via Substituent-modulated Electronic Perturbation

Chemical Communications (2024)

Yun Han Xin Mao Xuecheng Yan Qilong Wu Qianqian Fang

Fine-tuning of the p z orbital of carbon defects by ligand-modulated electronic perturbation can lead to peak ORR catalytic activity.

Carbon fibers

10.1039/d4cc04721d

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Citations (0)

SARS-CoV-2 M ^pro inhibitors with antiviral activity in a transgenic mouse model

Science (2021)

Jingxin Qiao Yueshan Li Rui Zeng Feng‐Liang Liu Rong‐Hua Luo

The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continually poses serious threats to global public health. The main protease (Mpro) of SARS-CoV-2 plays a central role in viral replication. We designed and synthesized 32 new bicycloproline-containing Mpro inhibitors derived from either boceprevir or telaprevir, both of which are approved antivirals. All compounds inhibited SARS-CoV-2 Mpro activity in vitro, with 50% inhibitory concentration values ranging from 7.6 to 748.5 nM. The cocrystal structure of Mpro in complex with MI-23, one of the most potent compounds, revealed its interaction mode. Two compounds (MI-09 and MI-30) showed excellent antiviral activity in cell-based assays. In a transgenic mouse model of SARS-CoV-2 infection, oral or intraperitoneal treatment with MI-09 or MI-30 significantly reduced lung viral loads and lung lesions. Both also displayed good pharmacokinetic properties and safety in rats.

Vero cell

Boceprevir

Telaprevir

Coronavirus

10.1126/science.abf1611

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Citations (392)

Structure‐Guided Discovery of a Potent and Selective Cell‐Active Inhibitor of SETDB1 Tudor Domain

Angewandte Chemie International Edition (2021)

Yinping Guo Xin Mao Liang Xiong Anjie Xia Jing You

SET domain bifurcated protein 1 (SETDB1) is a histone lysine methyltransferase that promotes the silencing of some tumour suppressor genes and is overexpressed in many cancers. SETDB1 contains a unique tandem tudor domain (TTD) that recognizes histone H3 sequences containing both methylated and acetylated lysines. Beginning with the identification of a hit compound (Cpd1), we discovered the first potent and selective small molecule SETDB1-TTD inhibitor (R,R)-59 through stepwise structure-guided optimization. (R,R)-59 showed a KD value of 0.088±0.045 μM in the ITC assay. The high potency of (R,R)-59 was well explained by the cocrystal structure of the (R,R)-59-TTD complex. (R,R)-59 is an endogenous binder competitive inhibitor. Evidence has also demonstrated its cellular target engagement. Interestingly, the enantiomer (S,S)-59 did not show activity in all the assays, highlighting the potential of (R,R)-59 as a tool compound in exploring the biological functions of SETDB1-TTD.

10.1002/anie.202017200

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Citations (38)

Structure‐Guided Discovery of a Potent and Selective Cell‐Active Inhibitor of SETDB1 Tudor Domain

Angewandte Chemie (2021)

Yinping Guo Xin Mao Liang Xiong Anjie Xia Jing You

Abstract SET domain bifurcated protein 1 (SETDB1) is a histone lysine methyltransferase that promotes the silencing of some tumour suppressor genes and is overexpressed in many cancers. SETDB1 contains a unique tandem tudor domain (TTD) that recognizes histone H3 sequences containing both methylated and acetylated lysines. Beginning with the identification of a hit compound ( Cpd1 ), we discovered the first potent and selective small molecule SETDB1‐TTD inhibitor ( R , R )‐59 through stepwise structure‐guided optimization. ( R , R )‐59 showed a K D value of 0.088±0.045 μM in the ITC assay. The high potency of ( R , R )‐59 was well explained by the cocrystal structure of the ( R , R )‐59 ‐TTD complex. ( R , R )‐59 is an endogenous binder competitive inhibitor. Evidence has also demonstrated its cellular target engagement. Interestingly, the enantiomer ( S , S )‐59 did not show activity in all the assays, highlighting the potential of ( R , R )‐59 as a tool compound in exploring the biological functions of SETDB1‐TTD.

10.1002/ange.202017200

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Citations (2)

Metal-Free Aerobic Oxidative Selective C–C Bond Cleavage in Heteroaryl-Containing Primary and Secondary Alcohols

Organic Letters (2019)

Anjie Xia Xueyu Qi Xin Mao Xiaoai Wu Xin Yang

A transition-metal-free aerobic oxidative selective C–C bond-cleavage reaction in primary and secondary heteroaryl alcohols is reported. This reaction was highly efficient and tolerated various heteroaryl alcohols, generating a carboxylic acid derivative and a neutral heteroaromatic compound. Experimental studies combined with density functional theory calculations revealed the mechanism underlying the selective C–C bond cleavage. This strategy also provides an alternative simple approach to carboxylation reaction.

Carboxylation

Bond cleavage

Primary (astronomy)

Oxidative cleavage

Cleavage (geology)

Derivative (finance)

10.1021/acs.orglett.9b00563

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Citations (28)

A DFT study on the mechanism of the organocatalytic synthesis of a benzoxazine-substituted indolizine derivative

Journal of Molecular Modeling (2017)

Xin Mao Sufan Wang Yongjia Shang