1.VenusMutHub: A systematic evaluation of protein mutation effect predictors on small-scale experimental data.
Liang ZHANG ; Hua PANG ; Chenghao ZHANG ; Song LI ; Yang TAN ; Fan JIANG ; Mingchen LI ; Yuanxi YU ; Ziyi ZHOU ; Banghao WU ; Bingxin ZHOU ; Hao LIU ; Pan TAN ; Liang HONG
Acta Pharmaceutica Sinica B 2025;15(5):2454-2467
In protein engineering, while computational models are increasingly used to predict mutation effects, their evaluations primarily rely on high-throughput deep mutational scanning (DMS) experiments that use surrogate readouts, which may not adequately capture the complex biochemical properties of interest. Many proteins and their functions cannot be assessed through high-throughput methods due to technical limitations or the nature of the desired properties, and this is particularly true for the real industrial application scenario. Therefore, the desired testing datasets, will be small-size (∼10-100) experimental data for each protein, and involve as many proteins as possible and as many properties as possible, which is, however, lacking. Here, we present VenusMutHub, a comprehensive benchmark study using 905 small-scale experimental datasets curated from published literature and public databases, spanning 527 proteins across diverse functional properties including stability, activity, binding affinity, and selectivity. These datasets feature direct biochemical measurements rather than surrogate readouts, providing a more rigorous assessment of model performance in predicting mutations that affect specific molecular functions. We evaluate 23 computational models across various methodological paradigms, such as sequence-based, structure-informed and evolutionary approaches. This benchmark provides practical guidance for selecting appropriate prediction methods in protein engineering applications where accurate prediction of specific functional properties is crucial.
2.Effect of different pretreatment methods on the detection of pesticide residues in five traditional Chinese medicines
Wanqing ZHANG ; Yuanxi LIU ; Gaopian CHEN ; Huiru ZHU ; Yufang ZHU ; Xiaoxiao LIU
Drug Standards of China 2024;25(3):251-256
Objective:To study effects of different pretreatment methods on the detection of pesticide residues in Angelicae Sinensis Radix,ChrysanthemI Flos,Lych Fructus,Astragali Radix and Lonicerae Japonicae Flos.Methods:The samples were treated with QuEChERS method and high-speed homogenization combined with hydro-phile-lipophile balance(HLB)solid-phase extraction method,and the residual amounts of carbofuran,3-carboxyl-carbofuran,phorate,phorate sulfone,phorate sulfoxide,and methyl isoflurophos were simultaneously determined using UHPLC-MS/MS.With a gradient elutionof 0.1%formic acid solution containing 5 mmol·L-1 ammonium formate and t 0.1%formic acid solution containing 5 mmol·L-1 ammonium formate-acetonitrile(volume ratio of 5:95),Ultra-performance liquid chromatography column Agilent Poroshell 120 SB-C18(2.1 mm × 100 mm,2.7μm)was used at 35 ℃ and the electrospray ion source was scanned in the positive ion mode and detected in the multiple reaction monitoring mode in mass spectrometry.Results:The deviation of the results measured by QuECh-ERS method and HLB solid-phase extraction method was between 9.09%-55.56%.Conclusion:In the selection of the pretreatment method for the detection of pesticide residues in traditional Chinese medicine,it is recommen-ded to take the measurement data of positive samples as the evaluation index and basis,and choose the method with higher measurement value and high extraction efficiency.
3.Research progress in the treatment of liver cancer with disulfiram
Yang XIAO ; Jinhui ZHANG ; Qinwen TAI ; Ninglei LI ; Liquan CAI ; Heng ZHANG ; Jinhua HUANG ; Feng GAO ; Yuanxi WANG
Chinese Journal of Hepatobiliary Surgery 2020;26(9):714-717
Disulfiram, a drug that has been used for alcohol dependence. As an approved drug in clinical medicine, disulfiram can be used as the anticancer drug in the treatment of breast cancer, prostate cancer, glioblastoma, lung cancer, etc. This paper summarized the mechanism of disulfiram for anticancer treatment and the function for liver cancer therapy, and we also analyzed the potential mechanism of disulfiram for the treatment of liver cancer and its’ value in the clinical application.
4.Quantitative evaluation on puborectalis function in patients with pelvic organ prolapse using shear wave elastography
Wang NIU ; Tiemei SHI ; Yuanxi ZHANG
Chinese Journal of Medical Imaging Technology 2018;34(2):270-274
Objective To evaluate the contraction function of puborectalis (PR) with shear wave elastography (SWE).Methods Twenty-eight patients with pelvic organ prolapse (POP-Q Ⅲ group and POP-Q Ⅳ group,each n=14) and 28 healthy volunteers (control group) were enrolled.The Young's modulus of PR in the front,middle and back of pubic rectal muscles of each group at resting and maximal rectal state were measured with shear wave elastography,and then were statistically analyzed.Results Youngs modulus of maximum rectal state of each group was higher than that of resting state (all P<0.05).At resting and maximal rectal state,the Young's modulus and their differences in POP-Q Ⅲ group and POP-Q Ⅳ group were significantly different compared with control group (all P<0.05),but those in POP-Q Ⅲ group and POP-Q Ⅳ group were not (all P>0.05).Conclusion Decrease of PR systolic function can be observed in patients with pelvic organ prolapse,and SWE can be used to detect abnormal function of PR systolic function.
5.Progresses of ultrasound elastography in endometrial lesions
Min GAO ; Tiemei SHI ; Yuanxi ZHANG ; Qier MU
Chinese Journal of Medical Imaging Technology 2018;34(5):783-786
Endometrial lesions are common gynecological diseases in women,including submucosal fibroids,endometrial polyps,endometrial hyperplasia and endometrial cancer,etc.Endometrial hyperplasia is one of the precancerous lesions,and early diagnosis can effectively reduce the rate of malignancy.Ultrasound elastography has been gradually used in gynecology.The classification,principles of ultrasound elastography and its application in diagnosis of endometrial lesions were reviewed in the article.
6.Influence of infusion of mesenchymal stem cells by different routes on the expression of AQP1 and AQP2 in rats with adriamycin-induced nephropathy
Lei HAN ; Wenqing ZHANG ; Huan SUN ; Facheng LU ; Yuanxi JIAN ; Yiyuan XIN ; Jiaping WANG
Journal of Interventional Radiology 2017;26(11):1015-1019
Objective To evaluate the therapeutic effect of bone marrow mesenchymal stem cell (MSC) infusion transplantation via renal artery and via caudal vein in treating chronic kidney disease (CKD) in rats,and to compare the expressions of aquaporin1 (AQP1) and aquaporin2 (AQP2) between the two transplantation routes.Methods A total of 50 male SD rats were selected for this experiment.Two experimental rats were used to make preparation of bone marrow MSC.CKD model was established with infusion of adriamycin via caudal vein in 36 rats.The 36 CKD models were randomly divided into adriamycininduced renal failure model control group (A-C group,n=12),MSC transplantation through the right renal artery group (M-A group,n=12) and MSC transplantation through the caudal vein group (M-V group,n=12).The remaining 12 male SD rats were used as the blank control group (N group).One week after the last bone marrow MSC transplantation,the 24 h urine volume,24 h urinary protein content,serum sodium content and serum albumin level were measured,and AQP1 and AQP2 expressions in the kidney tissue were determined by immunohistochemistry.Results Compared with A-C group,the serum albumin level and 24h urine volume in both M-V group and M-A group were significantly increased (P<0.05),while 24h urinary protein content and serum sodium content were remarkably decreased (P<0.05).The 24h urinary protein content in the M-A group was obviously lower than that in the M-V group (P<0.05).The AQP1 and AQP2 expressions in the kidney tissue in both M-V group and M-A group were strikingly lower than those in the A-C group (P< 0.05),but no statistically significant differences in AQP1 and AQP2 expressions existed between the M-V group and the M-A group (P>0.05).Conclusion MSC transplantation can increase serum albumin,and lower urinary protein,serum sodium and the expressions of AQP1 and AQP2 in renal parenchymal cells,which has the effect on repairing renal injury of adriamycin-induced CKD rats.For a given period of time,the clinical curative effect of MSC transplantation via renal artery is better than that of MSC transplantation via peripheral vein,but the difference in curative effect between the two MSC transplantation pathways has no obvious correlation with AQP1 and AQP2 expressions.
7.Application progresses of real-time shear wave elastography in skeletal muscles
Wang NIU ; Tiemei SHI ; Yuanxi ZHANG
Chinese Journal of Medical Imaging Technology 2017;33(10):1583-1586
The central nervous system disease and musculoskeletal diseases often involve skeletal muscles.Quantitative evaluation of strength and hardness of a single muscle accurately and rapidly are basis for causation analysis of movement dysfunction.Real-time shear wave elastography (SWE) is a new ultrasonic imaging technique developed in recent years,and still has a preliminary application in the skeletal muscle system.The application and research progresses of SWE in auxiliary diagnosis of disease in skeletal muscles were reviewed in this article.
8.Progresses of translabial ultrasound in evaluation of postpartum anal sphincter complex
Yuanxi ZHANG ; Tiemei SHI ; Chen LIU ; Qier MU ; Min GAO
Chinese Journal of Interventional Imaging and Therapy 2017;14(11):699-702
The injury of anal sphincter complex during childbirth can result in long-term anal incontinence problems.Recently,several new techniques in ultrasound have been used to evaluate the function and injury of anal sphincter,such as tomographic ultrasound imaging,volume contrast imaging and speckle reduction imaging.The diagnosis rate of the injury of anal sphincter complex has been improved rapidly.The development of 2D and 3D ultrasound in evaluating function and injury of postpartum anal sphincter complex were reviewed in this article.
9.Research progresses of three dimensional power Doppler ultrasound in diagnosis of thyroid nodules
Chen LIU ; Tiemei SHI ; Zheng ZHOU ; Wang NIU ; Yuanxi ZHANG
Chinese Journal of Interventional Imaging and Therapy 2017;14(6):382-385
Thyroid nodule is a common diseases of neck,which property is usually identified by ultrasound examination.Color doppler ultrasonography can reflect the distribution of blood vessels and blood flow within the nodules.And with development of new technologies,three-dimensional ultrasound increase the accuracy of identification.Three-dimension power doppler ultrasound (3D-PDUS) can reflect blood flow information within the nodule space,which is more accurate than two-dimensional ultrasound and it can be used to evaluate the blood flow in nodules qualitatively and quantitatively,provide a new reference for clinical diagnosis of thyroid nodule.
10.Ultrasound value in diagnosis of deep infiltrating endometriosis in rectosigmoid: Meta-analysis
Wang NIU ; Tiemei SHI ; Yuanxi ZHANG ; Can ZONG ; Zheng ZHOU ; Chen LIU
Chinese Journal of Medical Imaging Technology 2017;33(6):912-916
Objective To explore the diagnostic value of comparing enhanced transvaginal ultrasound (E-TVS),none enhanced transvaginal ultrasound (TVS),and transrectal ultrasound (TRS) in preoperative detection of deep infiltrating endometriosis (DIE) in the rectosigmoid by Meta-analysis.Methods The literatures published from January 1990 to June 2016 were searched.The information of literatures were selected and evaluated.The included data was statistically analyzed by Meta-disc 1.4 software.Results Totally 25 literatures were enrolled.The pooled sensitivity,specificity,positive likelihood ratio,negative likelihood ratio,diagnostic odds ratio were 0.92,0.96,16.64,0.09,227.95 for E-TVS,0.83,0.97,16.95,0.17,112.97 for TVS,0.94,0.96,14.43,0.08,208.72 for TRS,respectively.Area under the curve were 0.980 4,0.966 3,0.979 0,respectively.Conclusion Diagnostic value of the three ultrasonography in preoperative detection of DIE in the rectosigmoid are E-TVS,TRS,TVS.E-TVS can be used as the preferred method of ultrasonic diagnosis of DIE in the rectosigmoid.

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