The Experts below are selected from a list of 1044 Experts worldwide ranked by ideXlab platform
Jing Zou - One of the best experts on this subject based on the ideXlab platform.
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Inhibition of Streptococcus mutans biofilm formation, extracellular polysaccharide production, and virulence by an Oxazole Derivative
Applied microbiology and biotechnology, 2015Co-Authors: Lulu Chen, Zhi Ren, Xuedong Zhou, Jumei Zeng, Jing ZouAbstract:Dental caries, a biofilm-related oral disease, is a result of disruption of the microbial ecological balance in the oral environment. Streptococcus mutans, which is one of the primary cariogenic bacteria, produces glucosyltransferases (Gtfs) that synthesize extracellular polysaccharides (EPSs). The EPSs, especially water-insoluble glucans, contribute to the formation of dental plaque, biofilm stability, and structural integrity, by allowing bacteria to adhere to tooth surfaces and supplying the bacteria with protection against noxious stimuli and other environmental attacks. The identification of novel alternatives that selectively inhibit cariogenic organisms without suppressing oral microbial residents is required. The goal of the current study is to investigate the influence of an Oxazole Derivative on S. mutans biofilm formation and the development of dental caries in rats, given that Oxazole and its Derivatives often exhibit extensive and pharmacologically important biological activities. Our data shows that one particular Oxazole Derivative, named 5H6, inhibited the formation of S. mutans biofilms and prevented synthesis of extracellular polysaccharides by antagonizing Gtfs in vitro, without affecting the growth of the bacteria. In addition, topical applications with the inhibitor resulted in diminished incidence and severity of both smooth and sulcal surface caries in vivo with a lower percentage of S. mutans in the animals’ dental plaque compared to the control group (P < 0.05). Our results showed that this Oxazole Derivative has the capacity to inhibit biofilm formation and cariogenicity of S. mutans.
Conrad Kunick - One of the best experts on this subject based on the ideXlab platform.
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Antiplasmodial dihetarylthioethers target the coenzyme A synthesis pathway in Plasmodium falciparum erythrocytic stages
Malaria Journal, 2017Co-Authors: Thomas Weidner, Leonardo Lucantoni, Abed Nasereddin, Lutz Preu, Peter G. Jones, Ron Dzikowski, Vicky M. Avery, Conrad KunickAbstract:Background Malaria is a widespread infectious disease that threatens a large proportion of the population in tropical and subtropical areas. Given the emerging resistance against the current standard anti-malaria chemotherapeutics, the development of alternative drugs is urgently needed. New anti-malarials representing chemotypes unrelated to currently used drugs have an increased potential for displaying novel mechanisms of action and thus exhibit low risk of cross-resistance against established drugs. Results Phenotypic screening of a small library (32 kinase-inhibitor analogs) against Plasmodium falciparum NF54- luc asexual erythrocytic stage parasites identified a diarylthioether structurally unrelated to registered drugs. Hit expansion led to a series in which the most potent congener displayed nanomolar antiparasitic activity (IC_50 = 39 nM, 3D7 strain). Structure–activity relationship analysis revealed a thieno[2,3- d ]pyrimidine on one side of the thioether linkage as a prerequisite for antiplasmodial activity. Within the series, the Oxazole Derivative KuWei173 showed high potency (IC_50 = 75 nM; 3D7 strain), good solubility in aqueous solvents (1.33 mM), and >100-fold selectivity toward human cell lines. Rescue experiments identified inhibition of the plasmodial coenzyme A synthesis as a possible mode of action for this compound class. Conclusions The class of antiplasmodial bishetarylthioethers reported here has been shown to interfere with plasmodial coenzyme A synthesis, a mechanism of action not yet exploited for registered anti-malarial drugs. The Oxazole congener KuWei173 displays double-digit nanomolar antiplasmodial activity, selectivity against human cell lines, high drug likeness, and thus represents a promising chemical starting point for further drug development.
Shabbir Muhammad - One of the best experts on this subject based on the ideXlab platform.
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the structural electro optical charge transport and nonlinear optical properties of Oxazole 4z 4 benzylidene 2 4 methylphenyl 1 3 oxazol 5 4h one Derivative
Journal of King Saud University - Science, 2018Co-Authors: Ahmad Irfan, Abdullah G Alsehemi, Aijaz Rasool Chaudhry, Shabbir MuhammadAbstract:Abstract The Oxazole compounds are being used for multifunctional purposes ranging from organic light emitting diodes, organic thin film transistors, and photovoltaic to the nonlinear optical materials. In this study, several structural, electro-optical, charge transport and nonlinear optical properties of (4 Z )-4-Benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4 H )-one ( BMPO ) have been investigated. Density functional theory (DFT) and time dependent DFT are very accurate and reasonable approaches to optimize the ground and excited state geometries, respectively. Thus, in the present study DFT and TDDFT methods with the B3LYP/6-31G ∗∗ levels of theory have been applied to shed some light on the structure-property relationship, frontier molecular orbitals (FMOs), optical properties. A clear intra-molecular charge transfer (ICT) from the highest occupied molecular orbitals (HOMOs) to the lowest unoccupied molecular orbitals (LUMOs) has been observed. The ionization potentials (IP), electron affinities (EA), total and partial densities of states have been discussed intensively. The electron reorganization energy of Oxazole compound ( BMPO ) is smaller than the hole reorganization energy revealing that it might be good electron transport contender in OLED. The electron reorganization energy of BMPO is calculated to be 0.223 eV that is smaller than the perfluoropentacene (value is 0.250 eV), which is famous n -type semiconductor material. The first pathway of BMPO has almost comparable hole and electron transfer integral values whereas the calculated electron reorganization energy (0.223 eV) is considerably lower than the hole reorganization energy (0.381 eV) which leads to superior electron intrinsic mobility of the studied Oxazole Derivative as compared to the hole one. It is expected that BMPO might be excellent electron transport material.
Lulu Chen - One of the best experts on this subject based on the ideXlab platform.
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Inhibition of Streptococcus mutans biofilm formation, extracellular polysaccharide production, and virulence by an Oxazole Derivative
Applied microbiology and biotechnology, 2015Co-Authors: Lulu Chen, Zhi Ren, Xuedong Zhou, Jumei Zeng, Jing ZouAbstract:Dental caries, a biofilm-related oral disease, is a result of disruption of the microbial ecological balance in the oral environment. Streptococcus mutans, which is one of the primary cariogenic bacteria, produces glucosyltransferases (Gtfs) that synthesize extracellular polysaccharides (EPSs). The EPSs, especially water-insoluble glucans, contribute to the formation of dental plaque, biofilm stability, and structural integrity, by allowing bacteria to adhere to tooth surfaces and supplying the bacteria with protection against noxious stimuli and other environmental attacks. The identification of novel alternatives that selectively inhibit cariogenic organisms without suppressing oral microbial residents is required. The goal of the current study is to investigate the influence of an Oxazole Derivative on S. mutans biofilm formation and the development of dental caries in rats, given that Oxazole and its Derivatives often exhibit extensive and pharmacologically important biological activities. Our data shows that one particular Oxazole Derivative, named 5H6, inhibited the formation of S. mutans biofilms and prevented synthesis of extracellular polysaccharides by antagonizing Gtfs in vitro, without affecting the growth of the bacteria. In addition, topical applications with the inhibitor resulted in diminished incidence and severity of both smooth and sulcal surface caries in vivo with a lower percentage of S. mutans in the animals’ dental plaque compared to the control group (P < 0.05). Our results showed that this Oxazole Derivative has the capacity to inhibit biofilm formation and cariogenicity of S. mutans.
Thomas Weidner - One of the best experts on this subject based on the ideXlab platform.
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Antiplasmodial dihetarylthioethers target the coenzyme A synthesis pathway in Plasmodium falciparum erythrocytic stages
Malaria Journal, 2017Co-Authors: Thomas Weidner, Leonardo Lucantoni, Abed Nasereddin, Lutz Preu, Peter G. Jones, Ron Dzikowski, Vicky M. Avery, Conrad KunickAbstract:Background Malaria is a widespread infectious disease that threatens a large proportion of the population in tropical and subtropical areas. Given the emerging resistance against the current standard anti-malaria chemotherapeutics, the development of alternative drugs is urgently needed. New anti-malarials representing chemotypes unrelated to currently used drugs have an increased potential for displaying novel mechanisms of action and thus exhibit low risk of cross-resistance against established drugs. Results Phenotypic screening of a small library (32 kinase-inhibitor analogs) against Plasmodium falciparum NF54- luc asexual erythrocytic stage parasites identified a diarylthioether structurally unrelated to registered drugs. Hit expansion led to a series in which the most potent congener displayed nanomolar antiparasitic activity (IC_50 = 39 nM, 3D7 strain). Structure–activity relationship analysis revealed a thieno[2,3- d ]pyrimidine on one side of the thioether linkage as a prerequisite for antiplasmodial activity. Within the series, the Oxazole Derivative KuWei173 showed high potency (IC_50 = 75 nM; 3D7 strain), good solubility in aqueous solvents (1.33 mM), and >100-fold selectivity toward human cell lines. Rescue experiments identified inhibition of the plasmodial coenzyme A synthesis as a possible mode of action for this compound class. Conclusions The class of antiplasmodial bishetarylthioethers reported here has been shown to interfere with plasmodial coenzyme A synthesis, a mechanism of action not yet exploited for registered anti-malarial drugs. The Oxazole congener KuWei173 displays double-digit nanomolar antiplasmodial activity, selectivity against human cell lines, high drug likeness, and thus represents a promising chemical starting point for further drug development.
