Review
Biochemistry & Molecular Biology
Panagiotis-Dimitrios Mingas, Jurij Zdovc, Iztok Grabnar, Tomaz Vovk
Summary: Monoclonal antibodies have been developed for the treatment of inflammatory diseases with complex pharmacokinetic properties. Therapeutic drug monitoring with serum matrix faces challenges in accessibility, leading to the exploration of alternative methods like dried blood spots and microsampling techniques. The obstacle of hematocrit may be addressed through novel analytical techniques and contemporary microsampling devices.
Article
Multidisciplinary Sciences
Baitha Palanggatan Maggadani, Yahdiana Harahap, Harmita, Samuel J. Haryono, Christoffel William Putra Untu
Summary: This study aimed to develop the DBS and VAMS methods for analyzing TAM and its metabolites, and successfully applied these methods in clinical patients, demonstrating their stability and accuracy. The validation and recovery rates for both methods were satisfactory, with VAMS showing slightly higher extraction recovery compared to DBS.
Article
Medical Laboratory Technology
Binu Susan Mathew, Sumith K. Mathew, Blessed Winston Aruldhas, Ratna Prabha, Naveen Gangadharan, Vinoi George David, Santosh Varughese, George Tharayil John
Summary: A LC-MS/MS assay was validated for estimating tacrolimus and creatinine concentrations from dried blood spots (DBS) or volumetric absorptive microsampling (VAMS). The results were compared with traditional venous sampling.
CLINICAL BIOCHEMISTRY
(2022)
Article
Medical Laboratory Technology
Ganesh S. Moorthy, Christina Vedar, Kevin J. Downes, Julie C. Fitzgerald, Marc H. Scheetz, Athena F. Zuppa
Summary: Microsampling techniques like DBS and VAMS are attractive tools for therapeutic drug monitoring and pediatric clinical research, requiring the establishment of blood-plasma correlation and therapeutic windows for antimicrobial drugs.
THERAPEUTIC DRUG MONITORING
(2021)
Article
Chemistry, Analytical
Lucia Paniagua-Gonzalez, Elena Lendoiro, Esteban Otero-Anton, Manuel Lopez-Rivadulla, Ana de-Castro-Rios, Angelines Cruz
Summary: This study aimed to perform a clinical validation for tacrolimus and mycophenolic acid in both DBS and MitraTM VAMS, fulfilling both analytical and clinical acceptance criteria. VAMS showed lower concentrations compared to routine matrices but met the analytical requirements after correction.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2022)
Review
Medical Laboratory Technology
Prerna Dodeja, Spiros Giannoutsos, Steve Caritis, Raman Venkataramanan
Summary: Microsampling is a technique that uses a small volume of biological matrix for quantitative analysis. Dried blood spots, a commonly used microsampling method, has limitations such as sample inhomogeneity and environmental degradation. A novel microsampling device called Volumetric Absorptive Microsampling (VAMS) has shown promise in resolving these issues and improving sample collection precision.
THERAPEUTIC DRUG MONITORING
(2023)
Review
Biochemical Research Methods
Madhura Rajadhyaksha, Vaishali Londhe
Summary: The outbreak of the new coronavirus disease led to a surge in diagnostic testing globally, with molecular tests helping in current infection diagnosis and serological tests aiding in antibody detection and vaccine development. Utilization of microsampling techniques proved to be valuable due to its remote, contactless, small volume, and self-sampling advantages, reducing the need for clinical staff in population-level testing during the pandemic.
DRUG TESTING AND ANALYSIS
(2021)
Article
Medical Laboratory Technology
Lan Gao, Neil Smith, Diksha Kaushik, Sarah Milner, Ronald Kong
Summary: A new VAMS HPLC-MS/MS method was developed for measuring blood phenylalanine (Phe) in PKU patients. Compared to traditional venous blood collection methods, VAMS method is more convenient and provides accurate and reliable results.
CLINICAL BIOCHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Daniel Marques de Sa e Silva, Marlene Thaitumu, Georgios Theodoridis, Michael Witting, Helen Gika
Summary: Volumetric absorptive microsampling (VAMS) has been widely used in pharmaceutical research, but it also shows great potential in biomarker analysis. This study comprehensively reviews the applicability of VAMS devices for the analysis of endogenous metabolites/biomarkers, highlighting their advantages in analyte stability and sample acquisition.
Article
Pharmacology & Pharmacy
Xueqiao Wang, Xinhua Dai, Shiqi Wan, Yu Fan, Lijuan Wu, Huan Xu, Lin Yan, Xingxin Gong, Yamei Li, Yao Luo, Yangjuan Bai, Yi Li
Summary: In this study, a new method combining VAMS and UPLC-MS/MS was developed to simultaneously quantify TAC, MPA, and Cre concentrations in renal transplant recipients. The method was successfully validated and showed higher patient satisfaction compared to dried blood spots.
Article
Biochemical Research Methods
Ryan Johnson, Imran Rehmani, Mark Leahy, Abigail Walker, Xiaorong Liang, Brian Dean, Jianshuang Wang
Summary: Volumetric absorption microsampling devices enable minimally invasive and user-friendly collection of capillary blood in volumes as low as 10 μL. This study validates the assays for determining giredestrant in dried human whole blood collected using the Mitra and Tasso-M20 devices. The LC-MS/MS assays meet validation acceptance criteria for a linear range of 1-1000 ng/mL giredestrant. These validated assays are suitable for quantitating giredestrant in dried blood samples collected with Mitra and Tasso-M20 microsampling devices.
Review
Biochemistry & Molecular Biology
Arkadiusz Kocur, Tomasz Pawinski
Summary: Miniaturisation and simplification are emerging approaches in clinical bioanalysis, especially in therapeutic drug monitoring. Volumetric Absorptive Microsampling (VAMS) has enabled the accurate and precise collection of a fixed blood volume, reducing the hematocrit effect and improving volumetric accuracy. This review focuses on the importance of VAMS-Mitra (TM) devices for TDM and toxicology studies, highlighting its strengths and weaknesses compared to traditional venipuncture and other microsampling methods.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Analytical
Sebastian Zimmermann, Fatemeh Aghai, Bastian Schilling, Sabrina Kraus, Goetz Ulrich Grigoleit, Charis Kalogirou, Maria-Elisabeth Goebeler, Pius Jung, Theo Pelzer, Hartwig Klinker, Nora Isberner, Oliver Scherf-Clavel
Summary: Personalized dosing of kinase inhibitors using VAMS method has shown accurate and sensitive monitoring of drug exposure. The developed LC-MS/MS VAMS method demonstrated linearity, reproducibility, and fulfilled the acceptance criteria for bioanalytical method validation. This method provides a potential alternative for remote and frequent specimen collection in personalized oral anti-cancer therapy.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2022)
Article
Medical Laboratory Technology
Ola Ramadan, Lea Marie Schatz, Ingeborg van den Heuvel, Katja Masjosthusmann, Andreas H. Groll, Georg Hempel
Summary: This study aimed to determine the concentration of meropenem in the smallest possible sample volume using VAMS technology and evaluate its applicability in therapeutic drug monitoring. The results showed that VAMS was not reliable for calculating meropenem plasma concentrations from whole blood.
THERAPEUTIC DRUG MONITORING
(2023)
Article
Environmental Sciences
Anastasia Koutsimpani-Wagner, Caroline Quartucci, James P. K. Rooney, Stephan Bose-O'Reilly, Stefan Rakete
Summary: This study developed a new blood sampling method called VAMS and applied it to human biomonitoring of mercury. The accuracy and feasibility of VAMS were validated by comparing it with venous blood samples, and it was found that VAMS showed better accuracy and precision in high concentrations of mercury.
ENVIRONMENTAL MONITORING AND ASSESSMENT
(2022)
Review
Nutrition & Dietetics
Premysl Mladenka, Katerina Macakova, Lenka Kujovska Krcmova, Lenka Javorska, Kristyna Mrstna, Alejandro Carazo, Michele Protti, Fernando Remiao, Lucie Novakova
Summary: Vitamin K is not only involved in blood coagulation, but also in the maturation of proteins and physiological processes in bones. Research has suggested a possible link between vitamin K and the prevention of osteoporosis and cardiovascular diseases, but current knowledge is insufficient to make a decisive conclusion.
Article
Chemistry, Medicinal
Irene Brusa, Elvira Sondo, Federico Falchi, Nicoletta Pedemonte, Marinella Roberti, Andrea Cavalli
Summary: This article reviews recent progress in the discovery of CFTR proteostasis regulators, mainly focusing on the design, chemical structure, and structure-activity relationships. The opportunities, challenges, and future directions in this emerging and promising field of research are also discussed.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Valentina Sallustio, Ilaria Chiocchio, Manuela Mandrone, Marco Cirrincione, Michele Protti, Giovanna Farruggia, Angela Abruzzo, Barbara Luppi, Federica Bigucci, Laura Mercolini, Ferruccio Poli, Teresa Cerchiara
Summary: This study aimed to select the rosehip extract containing the greatest amounts of bioactive compounds and to encapsulate it in vesicular systems. The results showed that ethosomes were the most promising nanocarriers with small size, high encapsulation efficiency, stability, and non-cytotoxicity.
Article
Chemistry, Multidisciplinary
Jordy Bollon, Michela Assale, Andrea Cina, Stefano Marangoni, Matteo Calabrese, Chiara Beatrice Salvemini, Jean Marc Christille, Stefano Gustincich, Andrea Cavalli
Summary: In this study, the impact of different representations of UMAP embedding on breast cancer stratification was evaluated. It is recommended to explore different geometric representations to understand data structure and sample relationships.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Medicinal
Monika Moravcova, Marcel Hrubsa, Zuzana Lomozova, Maria Carmen Catapano, Roberta Argento, Eduard Jirkovsky, Radim Kucera, Laura Mercolini, Premysl Mladenka
Summary: This study aimed to develop a simple and complex method for screening potential cobalt chelators and evaluating their potential toxicity. The results showed that the selected metal chelators decreased the rate of the Fenton reaction and the lysis of erythrocytes, except for the chloroxine-cobalt ion complex. In conclusion, the described method could be a valuable tool for evaluating novel, effective, and safe cobalt chelators.
MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Physical
S. Decherchi, G. Ciccotti, A. Cavalli
Summary: We address the problem of estimating free energy from the perspectives of regularization and Bayes estimation theory. By utilizing prior knowledge of the free energy, we reformulate the Bennett acceptance ratio method and present a numerical algorithm to solve it. Additionally, we provide a closed formula to estimate confidence in the prior. Finally, the derived estimators are tested on a toy model.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Riccardo Aguti, Mattia Bernetti, Stefano Bosio, Sergio Decherchi, Andrea Cavalli
Summary: Allostery is a crucial feature of biomolecular systems, impacting their functioning through intricate interplays between residues and protein structures. Computational approaches for correlation estimation provide insights into these complexes but can lead to different conclusions and outcomes. This article compares three computational methods on pharmaceutical targets, revealing consensus in some aspects but also highlighting the importance of different notions in identifying specific pockets and communications.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
S. Decherchi, A. Cavalli
Summary: Optimal transport theory is a growing field of mathematics with numerous applications. In this work, we utilize optimal transport for computational free energy estimation and demonstrate its effectiveness in optimizing barriers of alchemical transformations through analytical and simulation-based approaches.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Francesco Di Palma, Carlo Abate, Sergio Decherchi, Andrea Cavalli
Summary: Drug discovery is challenging and prone to failure. Computational methods for identifying ligandable pockets are recommended due to their inexpensiveness and speed, especially when supported by machine learning methodologies. However, the outcome of these methods depends on the input data and the modeling assumptions made.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2023)
Review
Chemistry, Medicinal
Nour Mammari, Quentin Albert, Marc Devocelle, Masa Kenda, Nina Kocevar Glavac, Marija Sollner Dolenc, Laura Mercolini, Jaroslav Toth, Nagy Milan, Szilvia Czigle, Mihayl Varbanov
Summary: The common cold is a usually harmless infectious disease of the upper respiratory pathway, with mostly mild symptoms. However, it can lead to serious complications and even death in vulnerable patients. Treatment for the common cold is symptomatic, with the use of analgesics, antihistamines, decongestants, and local treatments. Medicinal plant specialties have shown efficacy in treating the common cold, as discussed in this review.
Article
Chemistry, Medicinal
Sarmistha Majumdar, Francesco Di Palma, Francesca Spyrakis, Sergio Decherchi, Andrea Cavalli
Summary: Tyrosine kinases play critical roles in cellular machinery, and dysregulation of their active or inactive forms is associated with diseases like cancer. This study aimed to comprehensively understand the flexibility-activity relationships of tyrosine kinases, focusing on pockets and fluctuations. By conducting molecular dynamics simulations, pocket and residue fluctuation analysis, and using a complementary machine learning approach, we studied 43 different tyrosine kinases. We found that the inactive forms often exhibit increased flexibility, particularly at the DFG motif level. Notably, using long simulations and a decision tree, we identified a semi-quantitative fluctuation threshold of the DGF+3 residue, beyond which the kinase is more likely to be in the inactive form.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Analytical
Michele Protti, Marco Cirrincione, Sarah Palano, Eleonora Poeta, Giorgia Babini, Maria Chiara Magnifico, Simona Nicole Barile, Nicola Balboni, Francesca Massenzio, Mohammadreza Mahdavijalal, Federico M. Giorgi, Roberto Mandrioli, Francesco M. Lasorsa, Barbara Monti, Laura Mercolini
Summary: Accurate characterization of metabolic profiles is essential for studying cellular metabolic pathways and understanding human diseases. A liquid chromatography-tandem mass spectrometry (LC-MS/MS) approach was developed for the qualitative and quantitative analysis of compounds in cell cultures. The method showed good sensitivity, selectivity, linearity, and precision, making it suitable for studying biochemical pathways in central nervous system diseases.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Analytical
Andrea Carotti, Ina Varfaj, Ilaria Pruscini, Ghaid W. A. Abualzulof, Laura Mercolini, Elisa Bianconi, Antonio Macchiarulo, Emidio Camaioni, Roccaldo Sardella
Summary: A fast HPLC method was developed to study the hydrophobicity extent of pharmaceutically relevant molecular fragments. The method allows for physico-chemical evaluations in drug discovery programs and optimizes the RP-HPLC method for determining log D values. By selecting the & phi;(0) index, log D values can be estimated for fragments unattainable by potentiometric titration. Molecular descriptors such as the number of hydrogen bond donors and index of cohesive interaction are found to correlate with the experimental data.
JOURNAL OF SEPARATION SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Michele Protti, Isacco Gualandi, Sergio Zappoli, Roberto Mandrioli, Laura Mercolini, Domenica Tonelli
Summary: Two analytical methods were employed to estimate the antioxidant capacity of commercial fruit juices. The electrochemical method measures the scavenging activity of antioxidants towards OH radicals, while the chromatographic method tests the inhibition of OH radical formation. Both methods show similar trends in evaluating the antioxidant capacity of fruit juices.
