Search Results - "Raškevičius, Vytautas"
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A metabolic modeling approach reveals promising therapeutic targets and antiviral drugs to combat COVID-19
Published in Scientific reports (07-06-2021)“…In this study we have developed a method based on Flux Balance Analysis to identify human metabolic enzymes which can be targeted for therapeutic intervention…”
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Genome scale metabolic models as tools for drug design and personalized medicine
Published in PloS one (05-01-2018)“…In this work we aim to show how Genome Scale Metabolic Models (GSMMs) can be used as tools for drug design. By comparing the chemical structures of human…”
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Phosphorylation-dependent allosteric regulation of Cx43 gap junction inhibitor potency
Published in Biomedicine & pharmacotherapy (01-05-2024)“…Physiological and pathological processes such as homeostasis, embryogenesis, development, tumorigenesis, and cell movement depend on the intercellular…”
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Impact of CYP2C19 Gene Variants on Long-Term Treatment with Atorvastatin in Patients with Acute Coronary Syndromes
Published in International journal of molecular sciences (15-05-2024)“…The effectiveness of lipid-lowering therapies may be insufficient in high-risk cardiovascular patients and depends on the genetic variability of…”
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The effect of nutmeg essential oil constituents on Novikoff hepatoma cell viability and communication through Cx43 gap junctions
Published in Biomedicine & pharmacotherapy (01-03-2021)“…[Display omitted] •Cellular effects of essential oils from plants lack mechanistic explanations and structure–activity relationship testing.•Nutmeg essential…”
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Evaluation of Cx43 Gap Junction Inhibitors Using a Quantitative Structure-Activity Relationship Model
Published in Biomedicines (01-07-2023)“…Gap junctions (GJs) made of connexin-43 (Cx43) are necessary for the conduction of electrical impulses in the heart. Modulation of Cx43 GJ activity may be…”
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Molecular basis for potentiation of Cx36 gap junction channel conductance by n -alcohols and general anesthetics
Published in Bioscience reports (28-02-2018)“…In our recent study, we have demonstrated that short carbon chain -alcohols (up to octanol) stimulated while long carbon chain -alcohols inhibited the…”
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Predicting Isoform-specific Binding Selectivities of Benzensulfonamides Using QSAR and 3D-QSAR
Published in Current computer-aided drug design (01-01-2017)“…Design of isoform-specific inhibitors is a major challenge in the new therapeutic agents development. The article describes the development of a robust…”
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Comparison of Performance of Docking, LIE, Metadynamics and QSAR in Predicting Binding Affinity of Benzenesulfonamides
Published in Current computer-aided drug design (01-01-2015)“…The design of inhibitors specific for one relevant carbonic anhydrase isozyme is the major challenge in the new therapeutic agents development. Comparative…”
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Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines
Published in European journal of medicinal chemistry (15-06-2015)“…A series of α-branched α,β-unsaturated ketones were prepared via boron trifluoride etherate mediated reaction between arylalkynes and carboxaldehydes. The…”
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Impact of ICYP2C19/I Gene Variants on Long-Term Treatment with Atorvastatin in Patients with Acute Coronary Syndromes
Published in International journal of molecular sciences (01-05-2024)“…The effectiveness of lipid-lowering therapies may be insufficient in high-risk cardiovascular patients and depends on the genetic variability of…”
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