Publications by authors named "Eva Milletti"

3 Publications

  • Page 1 of 1

Computational drug repurposing for the identification of SARS-CoV-2 main protease inhibitors.

J Biomol Struct Dyn 2021 10 24;39(16):6242-6248. Epub 2020 Jul 24.

Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy.

Accepted 7 July 2020ABSTRACTSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus responsible for the known COVID-19 disease. Since currently no definitive therapies or vaccines for the SARS-CoV-2 virus are available, there is an urgent need to identify effective drugs against SARS-CoV-2 infection. One of the best-known targets available is the main protease of this virus, crucial for the processing of polyproteins codified by viral RNA. In this work, we used a computational virtual screening procedure for the repurposing of commercial drugs available in the DrugBank database as inhibitors of the SARS-CoV-2 main protease. Molecular docking calculations and molecular dynamics (MD) simulations have been applied. The computational model was validated through a self-docking procedure. The screening procedure highlighted five interesting drugs that showed a comparable or higher docking score compared to the crystallographic compound and maintained the protein binding during the MD runs. Amongst these drugs, Ritonavir has been used in clinical trials with patients affected by COVID-19 and Nelfinavir showed anti-SARS-CoV-2 activity. The five identified drugs could be evaluated experimentally as inhibitors of the SARS-CoV-2 main protease in view of a possible COVID-19 treatment. Communicated by Ramaswamy H. Sarma.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1080/07391102.2020.1796805DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7441760PMC
October 2021

Identification of Amoxicillin Crystals in Urine: a Case Report.

Clin Lab 2020 Mar;66(3)

Background: The case concerns a 30-year-old woman in the 24th week of pregnancy presenting to the medical emergency room with fever and abdominal pain. Urine sediment microscopy revealed the presence of unknown needle-shaped crystals.

Methods: Crystals identification was performed by Fourier-Transform Infrared Spectroscopy coupled to Attenuated Total Reflectance (FTIR-ATR).

Results: Amoxicillin crystals were verified with semiquantitative results of 87.7%.

Conclusions: Drug-induced crystalluria is a frequent finding in urine examination and it may be asymptomatic. FTIR spectroscopy is a rapid and specific tool in identification of crystals and could be useful supporting renal disease diagnosis and monitoring drug therapy.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.7754/Clin.Lab.2019.190606DOI Listing
March 2020

Defining and Managing the Preanalytical Phase With FMECA: Automation and/or "Human" Control.

Hum Factors 2020 02 16;62(1):20-36. Epub 2019 Sep 16.

161157 University Hospital of Siena, Italy.

Objective: Our scope is to provide methodological elements on how to manage effectively the preanalytical phase in the laboratory testing process, by objectively measuring the risk connected to the phases handled by man with respect to those managed by machines.

Background: Preanalytical errors account for most of the mistakes related to laboratory testing and can affect patient care. Hence, it is necessary to manage the risk connected to the preanalytical phase, as required by certification and accreditation bodies. The risk assessment discloses the steps at greater risk and gives indications to make decisions.

Method: We have reviewed the state of art in the automation of the preanalytical phase, addressing needs and problems. We have used the proactive risk assessment methodology FMECA (Failure Mode, Effects, and Criticality Analysis) to identify the most critical phases in our preanalytical process and have calculated the risk associated.

Results: The most critical phases were the human controlled ones. In particular, the highest risk indexes were associated to manual acceptance of test orders, identification of the patients, tube labeling, and sample collection.

Conclusion: Automation in the preanalytical phase is fundamental to replace, support, or extend the human contribution. Nevertheless each organization is different about workloads and competencies, so the most suitable management must be tailor-made in each context.

Application: We present a method by which each organization is able to find its best balance between automation and human contribution in the control of the preanalytical phase.
View Article and Find Full Text PDF

Download full-text PDF

Source
http://dx.doi.org/10.1177/0018720819874906DOI Listing
February 2020
-->