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Govind B Kolekar - One of the best experts on this subject based on the ideXlab platform.
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spectroscopic analysis on the binding interaction of biologically active Pyrimidine Derivative with bovine serum albumin
Journal of Pharmaceutical Analysis, 2016Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Laxman S Walekar, Govind B KolekarAbstract:Abstract A biologically active antibacterial reagent , 2–amino-6-hydroxy–4–(4-N, N-dimethylaminophenyl)-Pyrimidine-5-carbonitrile (AHDMAPPC), was synthesized. It was employed to investigate the binding interaction with the bovine serum albumin (BSA) in detail using different spectroscopic methods. It exhibited antibacterial activity against Escherichia coli and Staphylococcus aureus which are common food poisoning bacteria. The experimental results showed that the fluorescence quenching of model carrier protein BSA by AHDMAPPC was due to static quenching. The site binding constants and number of binding sites ( n ≈1) were determined at three different temperatures based on fluorescence quenching results. The thermodynamic parameters, enthalpy change (Δ H ), free energy (Δ G ) and entropy change (Δ S ) for the reaction were calculated to be 15.15 kJ/mol, –36.11 kJ/mol and 51.26 J/mol K according to van't Hoff equation, respectively. The results indicated that the reaction was an endothermic and spontaneous process, and hydrophobic interactions played a major role in the binding between drug and BSA. The distance between donor and acceptor is 2.79 nm according to Forster's theory. The alterations of the BSA secondary structure in the presence of AHDMAPPC were confirmed by UV–visible, synchronous fluorescence, circular dichroism (CD) and three-dimensional fluorescence spectra. All these results indicated that AHDMAPPC can bind to BSA and be effectively transported and eliminated in the body. It can be a useful guideline for further drug design.
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a novel Pyrimidine Derivative as a fluorescent chemosensor for highly selective detection of aluminum iii in aqueous media
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Pravin R Dongare, Govind B KolekarAbstract:Abstract An efficient fluorescent chemosensor Al 3+ receptor based on Pyrimidine Derivative,2-amino-6-hydroxy-4-(4-N,N-dimethylaminophenyl)-Pyrimidine-5-carbonitrile (DMAB), has been synthesized by three-component condensation of aromatic aldehyde, ethyl cyanoacetate and guanidine hydrochloride in ethanol under alkaline medium. High selectivity and sensitivity of DMAB towards Aluminum ion (Al 3+ ) in water: ethanol and acetate buffer at pH 4.0 makes it suitable to detect Al 3+ with steady-state UV–vis and fluorescence spectroscopy. Method shows good selectivity towards Al 3+ over other coexisting metal ions tested, viz. Fe 2+ , Ni 2+ , Cu 2+ , Co 2+ , Pb 2+ , Sb 3+ , Na + , Ca 2+ , Mg 2+ , Zn 2+ , Hg 2+ , Ba 2+ , Cd 2+ and K + . A good linearity between the Stern–Volmer plots of F 0 / F versus concentration of Al 3+ was observed over the range from 10 to 60 μg mL −1 with correlation coefficient of 0.991. The accuracy and reliability of the method were further confirmed by recovery studies via standard addition method with percent recoveries in the range of 101.03–103.44% and lowest detection limit (LOD = 7.35 μg mL −1 ) for Al 3+ was established. This method may offer a new cost-effective, rapid, and simple key to the inspection of Al 3+ ions in water samples in the presence of a complex matrix and can be capable of evaluating the exceeding standard of Al 3+ in environmental water samples. The probable mechanism for fluorescence quenching was also discussed.
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a spectral deciphering the perturbation of model transporter protein hsa by antibacterial Pyrimidine Derivative pharmacokinetic and biophysical insights
Journal of Photochemistry and Photobiology B-biology, 2013Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Govind B KolekarAbstract:Steady state fluorescence and UV-vis absorption spectroscopic techniques have been exploited to explore the binding interaction of a antibacterial Pyrimidine Derivative 2-amino-6-hydroxy-4-(4-hydroxyphenyl)-Pyrimidine-5-carbonitrile (AHHPPC) with the model transporter protein, human serum albumin (HSA) under the physiological conditions. It exhibits antibacterial activity against Escherichia coli and Staphylococcus aureus. Analysis of fluorescence quenching data of HSA at different temperatures using Stern-Volmer methods revealed the formation of AHHPPC-HSA complex with binding affinities of the order 10(4) M(-1). The binding site number (n≈1) and corresponding thermodynamic parameters (ΔG), (ΔH) and (ΔS) were calculated, indicated that binding reaction was endothermic and the hydrophobic interactions plays a major role in stabilizing the complex. The binding distance (r=3.13 nm) between donor (HSA) and acceptor (AHHPPC) was obtained according to FRET. Changes in the albumin secondary structure imparted by the compound was confirmed using synchronous fluorescence, electronic absorption, circular dichroism (CD) and three-dimensional (3D) fluorescence spectroscopy. All these experimental results clarified that AHHPPC could bind to HSA and be effectively transported and eliminated in body, which could be a useful guideline for further drug design.
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spectroscopic investigation on the interaction of Pyrimidine Derivative 2 amino 6 hydroxy 4 3 4 dimethoxyphenyl Pyrimidine 5 carbonitrile with human serum albumin mechanistic and conformational study
Industrial & Engineering Chemistry Research, 2012Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Govind B KolekarAbstract:In the present study, fluorescence spectroscopy in combination with UV–vis absorption spectroscopy and synchronous fluorescence spectroscopy (SFS) was employed to investigate the binding affinity of Pyrimidine Derivative, 2-amino-6-hydroxy-4-(3,4-dimethoxyphenyl)-Pyrimidine-5-carbonitrile (AHDMPPC) to human serum albumin (HSA) under the physiological conditions. In the mechanism discussion, it was proved that the fluorescence quenching of HSA by AHDMPPC is a result of the formation of AHDMPPC–HSA complex. The quenching mechanism and number of binding sites (n ≈ 1) were obtained by fluorescence titration data. Binding parameters calculated from Stern–Volmer method showed that the AHDMPPC bind to HSA with the binding affinities of the order 104 L mol–1. The thermodynamic parameters studies revealed that the binding was characterized by negative enthalpy and positive entropy changes −13.06 kJ/mol and 51.34 J/mol K–1 (from the Van’t Hoff equation) and suggest that the binding reaction was exothermic and hydro...
Vishwas D Suryawanshi - One of the best experts on this subject based on the ideXlab platform.
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spectroscopic analysis on the binding interaction of biologically active Pyrimidine Derivative with bovine serum albumin
Journal of Pharmaceutical Analysis, 2016Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Laxman S Walekar, Govind B KolekarAbstract:Abstract A biologically active antibacterial reagent , 2–amino-6-hydroxy–4–(4-N, N-dimethylaminophenyl)-Pyrimidine-5-carbonitrile (AHDMAPPC), was synthesized. It was employed to investigate the binding interaction with the bovine serum albumin (BSA) in detail using different spectroscopic methods. It exhibited antibacterial activity against Escherichia coli and Staphylococcus aureus which are common food poisoning bacteria. The experimental results showed that the fluorescence quenching of model carrier protein BSA by AHDMAPPC was due to static quenching. The site binding constants and number of binding sites ( n ≈1) were determined at three different temperatures based on fluorescence quenching results. The thermodynamic parameters, enthalpy change (Δ H ), free energy (Δ G ) and entropy change (Δ S ) for the reaction were calculated to be 15.15 kJ/mol, –36.11 kJ/mol and 51.26 J/mol K according to van't Hoff equation, respectively. The results indicated that the reaction was an endothermic and spontaneous process, and hydrophobic interactions played a major role in the binding between drug and BSA. The distance between donor and acceptor is 2.79 nm according to Forster's theory. The alterations of the BSA secondary structure in the presence of AHDMAPPC were confirmed by UV–visible, synchronous fluorescence, circular dichroism (CD) and three-dimensional fluorescence spectra. All these results indicated that AHDMAPPC can bind to BSA and be effectively transported and eliminated in the body. It can be a useful guideline for further drug design.
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a novel Pyrimidine Derivative as a fluorescent chemosensor for highly selective detection of aluminum iii in aqueous media
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Pravin R Dongare, Govind B KolekarAbstract:Abstract An efficient fluorescent chemosensor Al 3+ receptor based on Pyrimidine Derivative,2-amino-6-hydroxy-4-(4-N,N-dimethylaminophenyl)-Pyrimidine-5-carbonitrile (DMAB), has been synthesized by three-component condensation of aromatic aldehyde, ethyl cyanoacetate and guanidine hydrochloride in ethanol under alkaline medium. High selectivity and sensitivity of DMAB towards Aluminum ion (Al 3+ ) in water: ethanol and acetate buffer at pH 4.0 makes it suitable to detect Al 3+ with steady-state UV–vis and fluorescence spectroscopy. Method shows good selectivity towards Al 3+ over other coexisting metal ions tested, viz. Fe 2+ , Ni 2+ , Cu 2+ , Co 2+ , Pb 2+ , Sb 3+ , Na + , Ca 2+ , Mg 2+ , Zn 2+ , Hg 2+ , Ba 2+ , Cd 2+ and K + . A good linearity between the Stern–Volmer plots of F 0 / F versus concentration of Al 3+ was observed over the range from 10 to 60 μg mL −1 with correlation coefficient of 0.991. The accuracy and reliability of the method were further confirmed by recovery studies via standard addition method with percent recoveries in the range of 101.03–103.44% and lowest detection limit (LOD = 7.35 μg mL −1 ) for Al 3+ was established. This method may offer a new cost-effective, rapid, and simple key to the inspection of Al 3+ ions in water samples in the presence of a complex matrix and can be capable of evaluating the exceeding standard of Al 3+ in environmental water samples. The probable mechanism for fluorescence quenching was also discussed.
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a spectral deciphering the perturbation of model transporter protein hsa by antibacterial Pyrimidine Derivative pharmacokinetic and biophysical insights
Journal of Photochemistry and Photobiology B-biology, 2013Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Govind B KolekarAbstract:Steady state fluorescence and UV-vis absorption spectroscopic techniques have been exploited to explore the binding interaction of a antibacterial Pyrimidine Derivative 2-amino-6-hydroxy-4-(4-hydroxyphenyl)-Pyrimidine-5-carbonitrile (AHHPPC) with the model transporter protein, human serum albumin (HSA) under the physiological conditions. It exhibits antibacterial activity against Escherichia coli and Staphylococcus aureus. Analysis of fluorescence quenching data of HSA at different temperatures using Stern-Volmer methods revealed the formation of AHHPPC-HSA complex with binding affinities of the order 10(4) M(-1). The binding site number (n≈1) and corresponding thermodynamic parameters (ΔG), (ΔH) and (ΔS) were calculated, indicated that binding reaction was endothermic and the hydrophobic interactions plays a major role in stabilizing the complex. The binding distance (r=3.13 nm) between donor (HSA) and acceptor (AHHPPC) was obtained according to FRET. Changes in the albumin secondary structure imparted by the compound was confirmed using synchronous fluorescence, electronic absorption, circular dichroism (CD) and three-dimensional (3D) fluorescence spectroscopy. All these experimental results clarified that AHHPPC could bind to HSA and be effectively transported and eliminated in body, which could be a useful guideline for further drug design.
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spectroscopic investigation on the interaction of Pyrimidine Derivative 2 amino 6 hydroxy 4 3 4 dimethoxyphenyl Pyrimidine 5 carbonitrile with human serum albumin mechanistic and conformational study
Industrial & Engineering Chemistry Research, 2012Co-Authors: Vishwas D Suryawanshi, Prashant V Anbhule, Anil H Gore, Shivajirao R Patil, Govind B KolekarAbstract:In the present study, fluorescence spectroscopy in combination with UV–vis absorption spectroscopy and synchronous fluorescence spectroscopy (SFS) was employed to investigate the binding affinity of Pyrimidine Derivative, 2-amino-6-hydroxy-4-(3,4-dimethoxyphenyl)-Pyrimidine-5-carbonitrile (AHDMPPC) to human serum albumin (HSA) under the physiological conditions. In the mechanism discussion, it was proved that the fluorescence quenching of HSA by AHDMPPC is a result of the formation of AHDMPPC–HSA complex. The quenching mechanism and number of binding sites (n ≈ 1) were obtained by fluorescence titration data. Binding parameters calculated from Stern–Volmer method showed that the AHDMPPC bind to HSA with the binding affinities of the order 104 L mol–1. The thermodynamic parameters studies revealed that the binding was characterized by negative enthalpy and positive entropy changes −13.06 kJ/mol and 51.34 J/mol K–1 (from the Van’t Hoff equation) and suggest that the binding reaction was exothermic and hydro...
Marina Montali - One of the best experts on this subject based on the ideXlab platform.
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a novel selective gaba a alpha1 receptor agonist displaying sedative and anxiolytic like properties in rodents
Journal of Medicinal Chemistry, 2005Co-Authors: Silvia Selleri, F Bruni, Camilla Costagli, A Costanzo, Gabriella Guerrini, G Ciciani, Paola Gratteri, Francois Besnard, Barbara Costa, Marina MontaliAbstract:In our pursuit to identify selective ligands for Bz/GABAA receptor subtypes, a novel pyrazolo[1,5-a]Pyrimidine Derivative (4), the azaisostere of zolpidem, was synthesized and evaluated in vitro on bovine brain homogenate and on recombinant benzodiazepine receptors (αxβ2/3γ2, x = 1−3, 5) expressed in HEK293 cells. Compound 4 displayed affinity only for α1β2γ2 subtype (Ki = 31 nM), and in an in-depth, in vivo study it revealed sedative and anxiolytic-like properties without any amnesic and myorelaxant effects in rodents.
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a novel selective gaba a alpha1 receptor agonist displaying sedative and anxiolytic like properties in rodents
Journal of Medicinal Chemistry, 2005Co-Authors: Silvia Selleri, F Bruni, Camilla Costagli, A Costanzo, Gabriella Guerrini, G Ciciani, Paola Gratteri, Francois Besnard, Barbara Costa, Marina MontaliAbstract:In our pursuit to identify selective ligands for Bz/GABA(A) receptor subtypes, a novel pyrazolo[1,5-a]Pyrimidine Derivative (4), the azaisostere of zolpidem, was synthesized and evaluated in vitro on bovine brain homogenate and on recombinant benzodiazepine receptors (alphaxbeta2/3gamma2, x = 1-3, 5) expressed in HEK293 cells. Compound 4 displayed affinity only for alpha1beta2gamma2 subtype (K(i) = 31 nM), and in an in-depth, in vivo study it revealed sedative and anxiolytic-like properties without any amnesic and myorelaxant effects in rodents.
N. S. Abdelshafi - One of the best experts on this subject based on the ideXlab platform.
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Inhibition of copper corrosion in 3.5% NaCl solutions by a new Pyrimidine Derivative: electrochemical and computer simulation techniques
Journal of Solid State Electrochemistry, 2011Co-Authors: K. F. Khaled, Mohamed N. H. Hamed, K. M. Abdel-azim, N. S. AbdelshafiAbstract:A new Pyrimidine heterocyclic Derivative, namely 2-ethylthio-4-( p -methoxyphenyl)-6-oxo-1,6-dihydroPyrimidine-5-carbonitrile (EPD) was prepared and its inhibition performance towards copper corrosion in 3.5% NaCl solutions was studied by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) measurements. Experimental investigations showed that EPD reduces markedly the copper corrosion in 3.5% NaCl solutions. EFM can be used as a rapid and non destructive technique for corrosion rate measurements without prior knowledge of Tafel constants. Monte Carlo simulation technique incorporating molecular mechanics and molecular dynamics can be used to simulate the adsorption of Pyrimidine Derivative (EPD) on the Cu (111) surface in 3.5% NaCl.
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Inhibition of copper corrosion in 3.5% NaCl solutions by a new Pyrimidine Derivative: electrochemical and computer simulation techniques
Journal of Solid State Electrochemistry, 2011Co-Authors: K. F. Khaled, Mohamed N. H. Hamed, K. M. Abdel-azim, N. S. AbdelshafiAbstract:A new Pyrimidine heterocyclic Derivative, namely 2-ethylthio-4-( p -methoxyphenyl)-6-oxo-1,6-dihydroPyrimidine-5-carbonitrile (EPD) was prepared and its inhibition performance towards copper corrosion in 3.5% NaCl solutions was studied by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) measurements. Experimental investigations showed that EPD reduces markedly the copper corrosion in 3.5% NaCl solutions. EFM can be used as a rapid and non destructive technique for corrosion rate measurements without prior knowledge of Tafel constants. Monte Carlo simulation technique incorporating molecular mechanics and molecular dynamics can be used to simulate the adsorption of Pyrimidine Derivative (EPD) on the Cu (111) surface in 3.5% NaCl.
Andrea Brancale - One of the best experts on this subject based on the ideXlab platform.
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design synthesis and biological evaluation of 6 substituted thieno 3 2 d Pyrimidine analogues as dual epidermal growth factor receptor kinase and microtubule inhibitors
Journal of Medicinal Chemistry, 2019Co-Authors: Romeo Romagnoli, Filippo Prencipe, Paola Oliva, Stefania Baraldi, Pier Giovanni Baraldi, Santiago Schiaffino Ortega, Mariem Chayah, Maria Kimatrai Salvador, Luisa Carlota Lopezcara, Andrea BrancaleAbstract:The clinical evidence for the success of tyrosine kinase inhibitors in combination with microtubule-targeting agents prompted us to design and develop single agents that possess both epidermal growth factor receptor (EGFR) kinase and tubulin polymerization inhibitory properties. A series of 6-aryl/heteroaryl-4-(3′,4′,5′-trimethoxyanilino)thieno[3,2-d]Pyrimidine Derivatives were discovered as novel dual tubulin polymerization and EGFR kinase inhibitors. The 4-(3′,4′,5′-trimethoxyanilino)-6-(p-tolyl)thieno[3,2-d]Pyrimidine Derivative 6g was the most potent compound of the series as an antiproliferative agent, with half-maximal inhibitory concentration (IC50) values in the single- or double-digit nanomolar range. Compound 6g bound to tubulin in the colchicine site and inhibited tubulin assembly with an IC50 value of 0.71 μM, and 6g inhibited EGFR activity with an IC50 value of 30 nM. Our data suggested that the excellent in vitro and in vivo profile of 6g may be derived from its dual inhibition of tubulin po...
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Design, Synthesis, and Biological Evaluation of 6‑Substituted Thieno[3,2‑d]Pyrimidine Analogues as Dual Epidermal Growth Factor Receptor Kinase and Microtubule Inhibitors
2019Co-Authors: Romeo Romagnoli, Filippo Prencipe, Paola Oliva, Stefania Baraldi, Pier Giovanni Baraldi, Santiago Schiaffino Ortega, Mariem Chayah, Maria Kimatrai Salvador, Luisa Carlota Lopez-cara, Andrea BrancaleAbstract:The clinical evidence for the success of tyrosine kinase inhibitors in combination with microtubule-targeting agents prompted us to design and develop single agents that possess both epidermal growth factor receptor (EGFR) kinase and tubulin polymerization inhibitory properties. A series of 6-aryl/heteroaryl-4-(3′,4′,5′-trimethoxyanilino)thieno[3,2-d]Pyrimidine Derivatives were discovered as novel dual tubulin polymerization and EGFR kinase inhibitors. The 4-(3′,4′,5′-trimethoxyanilino)-6-(p-tolyl)thieno[3,2-d]Pyrimidine Derivative 6g was the most potent compound of the series as an antiproliferative agent, with half-maximal inhibitory concentration (IC50) values in the single- or double-digit nanomolar range. Compound 6g bound to tubulin in the colchicine site and inhibited tubulin assembly with an IC50 value of 0.71 μM, and 6g inhibited EGFR activity with an IC50 value of 30 nM. Our data suggested that the excellent in vitro and in vivo profile of 6g may be derived from its dual inhibition of tubulin polymerization and EGFR kinase
