Publications by authors named "A A Fomina"
The orthoflavivirus NS1 protein is a relatively understudied target for the design of broad-spectrum anti-orthoflaviviral drugs. Currently, the NS1 protein structures of tick-borne orthoflaviviruses have not been published yet, but these structures can be modelled by homology, thus generating a large amount of structural data. We performed homology modelling of the NS1 protein structures of epidemiologically significant orthoflaviviruses and analysed the possibility of using these models in ensemble docking-based virtual screening.
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- - Niemann-Pick type C (NPC) disease results from mutations in NPC1 or NPC2 genes, leading to the accumulation of cholesterol in late endosomes/lysosomes, and researchers are exploring LBPA (lysobisphosphatidic acid) as a therapeutic agent to reduce this accumulation.
- - Studies indicate that different stereoisomers of LBPA are effective in reducing cholesterol levels in NPC1-deficient human fibroblast cells, with the presence of an 18:1 acyl chain being particularly significant for enhancing cholesterol clearance.
- - Further experiments suggest that while phosphatidylglycerol (PG) can also reduce cholesterol, it does not convert to LBPA effectively, highlighting that LBPA itself is essential for promoting cholesterol
Understanding the highly complex tumor-immune landscape is an important goal for developing novel immune therapies for solid cancers. To this end, 3D cancer-immune models have emerged as patient-relevant in vitro tools for modeling the tumor-immune landscape and the cellular interactions within it. In this review, we provide an overview of the components and applications of 3D cancer-immune models and discuss their evolution from 2015 to 2023.
View Article and Find Full Text PDFDuring the first years of COVID-19 pandemic, X-ray structures of the coronavirus drug targets were acquired at an unprecedented rate, giving hundreds of PDB depositions in less than a year. The main protease (Mpro) of severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) is the primary validated target of direct-acting antivirals. The selection of the optimal ensemble of structures of Mpro for the docking-driven virtual screening campaign was thus non-trivial and required a systematic and automated approach.
View Article and Find Full Text PDFBackground: On December 31, 2019, one of the most serious pandemics in recent times made its appearance. Certain health conditions, such as obesity and diabetes mellitus, have been described to be related to COVID-19 unfavorable outcomes.
Objective: To identify factors associated with mortality in patients with COVID-19.