Search Results - "Linkuviene, Vaida"

Intrinsic affinity of protein – ligand binding by differential scanning calorimetry by Linkuvienė, Vaida, Zubrienė, Asta, Matulis, Daumantas

“…Differential scanning calorimetry (DSC) determines the enthalpy change upon protein unfolding and the melting temperature of the protein. Performing DSC of a…”
Get full text

Introduction of Intrinsic Kinetics of Protein–Ligand Interactions and Their Implications for Drug Design by Linkuvienė, Vaida, Talibov, Vladimir O, Danielson, U. Helena, Matulis, Daumantas

“…Structure–kinetic relationship analyses and identification of dominating interactions for optimization of lead compounds should ideally be based on intrinsic…”
Get full text

Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments by Linkuvienė, Vaida, Krainer, Georg, Chen, Wen-Yih, Matulis, Daumantas

“…Isothermal titration calorimetry (ITC) is one of the most robust label- and immobilization-free techniques used to measure protein – small molecule…”
Get full text

Repeatability, precision, and accuracy of the enthalpies and Gibbs energies of a protein–ligand binding reaction measured by isothermal titration calorimetry by Paketurytė, Vaida, Linkuvienė, Vaida, Krainer, Georg, Chen, Wen-Yih, Matulis, Daumantas

“…In rational drug design, it is important to determine accurately and with high precision the binding constant (the affinity or the change in Gibbs energy, ∆ G…”
Get full text

Kinetically Selective Inhibitors of Human Carbonic Anhydrase Isozymes I, II, VII, IX, XII, and XIII by Talibov, Vladimir O, Linkuvienė, Vaida, Matulis, Daumantas, Danielson, U. Helena

“…To get a better understanding of the possibility of developing selective carbonic anhydrase (CA) inhibitors, interactions between 17 benzenesulphonamide…”
Get full text

Effects of Transportation of IV Bags Containing Protein Formulations Via Hospital Pneumatic Tube System: Particle Characterization by Multiple Methods by Linkuvienė, Vaida, Ross, Emma L, Crawford, Lindsey, Weiser, Sarah E, Man, Damen, Kay, Stephen, Kolhe, Parag, Carpenter, John F

“…In hospitals, often drug products in intravenous (IV) bags are transported via pneumatic tube systems (PTS). The goal of this study was to evaluate the effects…”
Get more information

Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX by Zakšauskas, Audrius, Čapkauskaitė, Edita, Paketurytė-Latvė, Vaida, Smirnov, Alexey, Leitans, Janis, Kazaks, Andris, Dvinskis, Elviss, Stančaitis, Laimonas, Mickevičiūtė, Aurelija, Jachno, Jelena, Jezepčikas, Linas, Linkuvienė, Vaida, Sakalauskas, Andrius, Manakova, Elena, Gražulis, Saulius, Matulienė, Jurgita, Tars, Kaspars, Matulis, Daumantas

“…Among the twelve catalytically active carbonic anhydrase isozymes present in the human body, the CAIX is highly overexpressed in various solid tumors. The…”
Get full text

High particle variability across siliconized and oil-free syringes and needles from the same lots by do Monte Agra, Lydianne Lumack, da Cruz, Natasha Ferreira Santos, Linkuviene, Vaida, Carpenter, John F., Farah, Michel Eid, Melo, Gustavo Barreto, Maia, Maurício

“…Previous studies have reported silicone oil (SO) applied to needles and syringes in the vitreous of patients after intravitreal injections. We evaluated four…”
Get full text

Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design by Linkuvienė, Vaida, Zubrienė, Asta, Manakova, Elena, Petrauskas, Vytautas, Baranauskienė, Lina, Zakšauskas, Audrius, Smirnov, Alexey, Gražulis, Saulius, Ladbury, John E, Matulis, Daumantas

“…The aim of rational drug design is to develop small molecules using a quantitative approach to optimize affinity. This should enhance the development of…”
Get more information

Intrinsic thermodynamics of inhibitor binding to human carbonic anhydrase IX by Linkuvienė, Vaida, Matulienė, Jurgita, Juozapaitienė, Vaida, Michailovienė, Vilma, Jachno, Jelena, Matulis, Daumantas

“…Human carbonic anhydrase 9th isoform (CA IX) is an important marker of numerous cancers and is increasingly interesting as a potential anticancer drug target…”
Get full text

Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms by Zakšauskas, Audrius, Čapkauskaitė, Edita, Jezepčikas, Linas, Linkuvienė, Vaida, Paketurytė, Vaida, Smirnov, Alexey, Leitans, Janis, Kazaks, Andris, Dvinskis, Elviss, Manakova, Elena, Gražulis, Saulius, Tars, Kaspars, Matulis, Daumantas

“…By applying an approach of a “ring with two tails”, a series of novel inhibitors possessing high-affinity and significant selectivity towards selected carbonic…”
Get full text

Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors by Čapkauskaitė, Edita, Zakšauskas, Audrius, Ruibys, Virginijus, Linkuvienė, Vaida, Paketurytė, Vaida, Gedgaudas, Marius, Kairys, Visvaldas, Matulis, Daumantas

“…[Display omitted] The similarity of human carbonic anhydrase (CA) active sites makes it difficult to design selective inhibitors for one or several CA isoforms…”
Get full text

Silicone oil‐free syringes, siliconized syringes and needles: quantitative assessment of silicone oil release with drugs used for intravitreal injection by Melo, Gustavo Barreto, Cruz, Natasha Ferreira Santos, Monte Agra, Lydianne Lumack, Emerson, Geoffrey Guy, Lima, Luiz H., Linkuviene, Vaida, Maia, Maurício, Farah, Michel Eid, Carpenter, John F., Rodrigues, Eduardo Büchele, Probst, Christine

“…Purpose This study aimed to quantify the amount of silicone oil (SO) released across a variety of syringe and needle models routinely used for intravitreal…”
Get full text

Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases by Zakšauskas, Audrius, Čapkauskaitė, Edita, Jezepčikas, Linas, Linkuvienė, Vaida, Kišonaitė, Miglė, Smirnov, Alexey, Manakova, Elena, Gražulis, Saulius, Matulis, Daumantas

“…Rational design of compounds that would bind specific pockets of the target proteins is a difficult task in drug design. The 12 isoforms of catalytically…”
Get full text

Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV by Mickevičiūtė, Aurelija, Timm, David D., Gedgaudas, Marius, Linkuvienė, Vaida, Chen, Zhiwei, Waheed, Abdul, Michailovienė, Vilma, Zubrienė, Asta, Smirnov, Alexey, Čapkauskaitė, Edita, Baranauskienė, Lina, Jachno, Jelena, Revuckienė, Jurgita, Manakova, Elena, Gražulis, Saulius, Matulienė, Jurgita, Di Cera, Enrico, Sly, William S., Matulis, Daumantas

“…Membrane-associated carbonic anhydrase (CA) isoform IV participates in carbon metabolism and pH homeostasis and is implicated in the development of eye…”
Get full text

Combinatorial Design of Isoform‐Selective N‐Alkylated Benzimidazole‐Based Inhibitors of Carbonic Anhydrases by Čapkauskaitė, Edita, Linkuvienė, Vaida, Smirnov, Alexey, Milinavičiūtė, Goda, Timm, David D., Kasiliauskaitė, Aistė, Manakova, Elena, Gražulis, Saulius, Matulis, Daumantas

“…Human carbonic anhydrases comprise a family of isoforms that form structurally similar active site and thus it is difficult to design inhibitors that would…”
Get full text

Uncertainty in protein–ligand binding constants: asymmetric confidence intervals versus standard errors by Paketurytė, Vaida, Petrauskas, Vytautas, Zubrienė, Asta, Abian, Olga, Bastos, Margarida, Chen, Wen-Yih, Moreno, Maria João, Krainer, Georg, Linkuvienė, Vaida, Sedivy, Arthur, Velazquez-Campoy, Adrian, Williams, Mark A., Matulis, Daumantas

“…Equilibrium binding constants ( K b ) between chemical compounds and target proteins or between interacting proteins provide a quantitative understanding of…”
Get full text

Protein - ligand binding affinity by differential scanning calorimetry by Matulis, Daumantas, Zubriene, Asta, Linkuviene, Vaida

Get full text

Repeatability of Enthalpies and Gibbs Energies of a Protein - Ligand Binding Reaction Measured by ITC by Paketuryte, Vaida, Linkuviene, Vaida, Matulis, Daumantas

Get full text

Cofactor Analogues as Active Site Probes in Lysine Acetyltransferases by Simon, Roman P, Rumpf, Tobias, Linkuviene, Vaida, Matulis, Daumantas, Akhtar, Asifa, Jung, Manfred

“…Lysine acetyltransferases (KATs, also termed histone acetyltransferases, HATs) catalyze the acetylation of substrate lysine residues by employing the cofactor…”
Get full text