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Mechanism-Driven Modeling to Aid Non-invasive Monitoring of Cardiac Function via Ballistocardiography 机制驱动的建模，以帮助无创监测心功能通过弹道心动图

Frontiers in medical technology Pub Date : 2022-02-16 DOI: 10.3389/fmedt.2022.788264

M. Zaid, Lorenzo Sala, Jan R. Ivey, D. Tharp, C. Mueller, P. Thorne, Shannon C. Kelly, K. Silva, Amira Rabee Mohamed Amin, P. Ruiz‐Lozano, M. Kapiloff, Laurel A. Despins, M. Popescu, James Keller, M. Skubic, Salman Ahmad, C. Emter, G. Guidoboni

{"title":"Mechanism-Driven Modeling to Aid Non-invasive Monitoring of Cardiac Function via Ballistocardiography","authors":"M. Zaid, Lorenzo Sala, Jan R. Ivey, D. Tharp, C. Mueller, P. Thorne, Shannon C. Kelly, K. Silva, Amira Rabee Mohamed Amin, P. Ruiz‐Lozano, M. Kapiloff, Laurel A. Despins, M. Popescu, James Keller, M. Skubic, Salman Ahmad, C. Emter, G. Guidoboni","doi":"10.3389/fmedt.2022.788264","DOIUrl":"https://doi.org/10.3389/fmedt.2022.788264","url":null,"abstract":"Left ventricular (LV) catheterization provides LV pressure-volume (P-V) loops and it represents the gold standard for cardiac function monitoring. This technique, however, is invasive and this limits its applicability in clinical and in-home settings. Ballistocardiography (BCG) is a good candidate for non-invasive cardiac monitoring, as it is based on capturing non-invasively the body motion that results from the blood flowing through the cardiovascular system. This work aims at building a mechanistic connection between changes in the BCG signal, changes in the P-V loops and changes in cardiac function. A mechanism-driven model based on cardiovascular physiology has been used as a virtual laboratory to predict how changes in cardiac function will manifest in the BCG waveform. Specifically, model simulations indicate that a decline in LV contractility results in an increase of the relative timing between the ECG and BCG signal and a decrease in BCG amplitude. The predicted changes have subsequently been observed in measurements on three swine serving as pre-clinical models for pre- and post-myocardial infarction conditions. The reproducibility of BCG measurements has been assessed on repeated, consecutive sessions of data acquisitions on three additional swine. Overall, this study provides experimental evidence supporting the utilization of mechanism-driven mathematical modeling as a guide to interpret changes in the BCG signal on the basis of cardiovascular physiology, thereby advancing the BCG technique as an effective method for non-invasive monitoring of cardiac function.","PeriodicalId":94015,"journal":{"name":"Frontiers in medical technology","volume":"1983 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82225238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 4

Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property of Candida albicans: Influence on the Development of New Antifungal Therapeutic Strategies 1,2,4 -三嗪及其衍生物抗白色念珠菌羊毛甾醇14-去甲基酶(CYP51)特性的鉴定及其对新抗真菌治疗策略的影响

Frontiers in medical technology Pub Date : 2021-08-17 DOI: 10.3389/fmedt.2022.845322

A. Verma, Aarfah Majid, M. Hossain, Sk. Faisal Ahmed, Mohammad Ashid, A. A. Bhojiya, S. Ameta, S. K. Upadhyay, A. Srivastava, Naveen Kumar Vishwakarma, V. Yadav, Pankaj Teli, Harina Harina, Mudassir Alam

{"title":"Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property of Candida albicans: Influence on the Development of New Antifungal Therapeutic Strategies","authors":"A. Verma, Aarfah Majid, M. Hossain, Sk. Faisal Ahmed, Mohammad Ashid, A. A. Bhojiya, S. Ameta, S. K. Upadhyay, A. Srivastava, Naveen Kumar Vishwakarma, V. Yadav, Pankaj Teli, Harina Harina, Mudassir Alam","doi":"10.3389/fmedt.2022.845322","DOIUrl":"https://doi.org/10.3389/fmedt.2022.845322","url":null,"abstract":"This research aims to find out whether the 1, 2, 4-triazine and its derivatives have antifungal effects and can protect humans from infection with Candida albicans. Molecular docking and molecular dynamic simulation are widely used in modern drug design to target a particular protein with a ligand. We are interested in using molecular docking and molecular dynamics modeling to investigate the interaction between the derivatives of 1, 2, 4-triazine with enzyme Lanosterol 14-demethylase (CYP51) of Candida albicans. The inhibition of Candida albicans CYP51 is the main goal of our research. The 1, 2, 4-triazine and its derivatives have been docked to the CYP51 enzyme, which is involved in Candida albicans Multidrug Drug Resistance (MDR). Autodock tools were used to identify the binding affinities of molecules against the target proteins. Compared to conventional fluconazole, the molecular docking results indicated that each drug has a high binding affinity for CYP51 proteins and forms unbound interactions and hydrogen bonds with their active residues and surrounding allosteric residues. The docking contacts were made using a 10 ns MD simulation with nine molecules. RMSD, RMSF, hydrogen bonds, and the Rg all confirm these conclusions. In addition, these compounds were expected to have a favorable pharmacological profile and low toxicity. The compounds are being offered as scaffolds for the development of new antifungal drugs and as candidates for future in vitro testing.","PeriodicalId":94015,"journal":{"name":"Frontiers in medical technology","volume":"88 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78324871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 10

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