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https://www.readbyqxmd.com/read/27625643/determination-of-dehydrogenase-activities-involved-in-d-glucose-oxidation-in-gluconobacter-and-acetobacter-strains
#1
Florencia Sainz, María Jesús Torija, Minenosuke Matsutani, Naoya Kataoka, Toshiharu Yakushi, Kazunobu Matsushita, Albert Mas
Acetic acid bacteria (AAB) are known for rapid and incomplete oxidation of an extensively variety of alcohols and carbohydrates, resulting in the accumulation of organic acids as the final products. These oxidative fermentations in AAB are catalyzed by PQQ- or FAD- dependent membrane-bound dehydrogenases. In the present study, the enzyme activity of the membrane-bound dehydrogenases [membrane-bound PQQ-glucose dehydrogenase (mGDH), D-gluconate dehydrogenase (GADH) and membrane-bound glycerol dehydrogenase (GLDH)] involved in the oxidation of D-glucose and D-gluconic acid (GA) was determined in six strains of three different species of AAB (three natural and three type strains)...
2016: Frontiers in Microbiology
https://www.readbyqxmd.com/read/26844785/pulmonary-targeting-potential-of-rosuvastatin-loaded-nanostructured-lipid-carrier-optimization-by-factorial-design
#2
Arpana Patil-Gadhe, Varsha Pokharkar
Rosuvastatin (RSVS), an anti-lipidemic agent suggested for the treatment of airway remodeling in chronic obstructive pulmonary disease (COPD). It shows a pleiotropic effect on airway smooth muscles and inhibits proliferative activities of physiological mitogens. The aim of the present study was to develop and investigate the targeting potential of rosuvastatin (RSVS) to lung as loaded in nanostructured lipid carrier dry powder for inhalation (RNLC-DPI). RNLC dispersion was converted into respirable particle by lyophilization using 5% mannitol as cryoprotectant-carrier...
March 30, 2016: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/25956696/finding-new-scaffolds-of-jak3-inhibitors-in-public-database-3d-qsar-models-shape-based-screening
#3
Changdev G Gadhe, Eunhee Lee, Mi-Hyun Kim
The STAT/JAK3 pathway is a well-known therapeutic target in various diseases (ex. rheumatoid arthritis and psoriasis). The therapeutic advantage of JAK3 inhibition motivated to find new scaffolds with desired DMPK. For the purpose, in silico high-throughput sieves method is developed consisting of a receptor-guided three-dimensional quantitative structure-activity relationship study and shape-based virtual screening. We developed robust and predictive comparative molecular field analysis (q (2) = 0.760, r (2) = 0...
November 2015: Archives of Pharmacal Research
https://www.readbyqxmd.com/read/25948966/rifapentine-proliposomes-for-inhalation-in-vitro-and-in-vivo-toxicity
#4
Arpana A Patil-Gadhe, Abhay Y Kyadarkunte, Michael Pereira, Gauri Jejurikar, Milind S Patole, Arun Risbud, Varsha B Pokharkar
BACKGROUND: Oral therapy for pulmonary tuberculosis (TB) treatment suffers from the limitation of hepatic metabolism leading insufficient concentration of antitubercular (anti-TB) drugs in alveolar macrophage which harbors Mycobacterium tuberculosis (MTB). Targeted aerosol delivery of antituberculous drug to lung is efficient for treating local lung TB infection. OBJECTIVE: The present study was aimed to evaluate rifapentine (RPT) loaded proliposomal dry powder for inhalation (RLDPI) for anti-TBactivity and cytotoxicity in vitro...
September 2014: Toxicology International
https://www.readbyqxmd.com/read/25617117/in-silico-characterization-of-binding-mode-of-ccr8-inhibitor-homology-modeling-docking-and-membrane-based-md-simulation-study
#5
Changdev G Gadhe, Anand Balupuri, Seung Joo Cho
Human CC-chemokine receptor 8 (CCR8) is a crucial drug target in asthma that belongs to G-protein-coupled receptor superfamily, which is characterized by seven transmembrane helices. To date, there is no X-ray crystal structure available for CCR8; this hampers active research on the target. Molecular basis of interaction mechanism of antagonist with CCR8 remains unclear. In order to provide binding site information and stable binding mode, we performed modeling, docking and molecular dynamics (MD) simulation of CCR8...
2015: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/25474265/insights-into-the-binding-modes-of-cc-chemokine-receptor-4-ccr4-inhibitors-a-combined-approach-involving-homology-modelling-docking-and-molecular-dynamics-simulation-studies
#6
Changdev G Gadhe, Mi-hyun Kim
CC chemokine receptor 4 (CCR4), a G protein-coupled receptor (GPCR), plays a vital role in the progression of asthma, T-cell lymphoma, inflammation, and Alzheimer's disease. To date, the structure of CCR4 has not been determined. Therefore, the nature of the interactions between inhibitors and CCR4 is not well known. In this study, we used CCR5 as a template to model the structure of CCR4. Docking studies were performed for four naphthalene-sulphonamide derivatives and crucial ligand-protein interactions were analysed...
February 2015: Molecular BioSystems
https://www.readbyqxmd.com/read/25259728/the-nociceptin-receptor-nopr-and-its-interaction-with-clinically-important-agonist-molecules-a-membrane-molecular-dynamics-simulation-study
#7
Gugan Kothandan, Changdev G Gadhe, Anand Balupuri, Jagadeesan Ganapathy, Seung Joo Cho
The nociceptin receptor (NOPR) is an orphan G protein-coupled receptor that contains seven transmembrane helices. NOPR has a distinct mechanism of activation, though it shares a significant homology with other opioid receptors. Previously there have been reports on homology modeling of NOPR and also molecular dynamics simulation studies for a short period. Recently the crystal structure of NOPR was reported. In this study, we analyzed the time dependent behavior of NOPR docked with clinically important agonist molecules such as NOP (natural agonist) peptide and compound 10 (SCH-221510 derivative) using molecular dynamics simulations (MDS) for 100 ns...
December 2014: Molecular BioSystems
https://www.readbyqxmd.com/read/25078860/montelukast-loaded-nanostructured-lipid-carriers-part-ii-pulmonary-drug-delivery-and-in-vitro-in-vivo-aerosol-performance
#8
Arpana Patil-Gadhe, Abhay Kyadarkunte, Milind Patole, Varsha Pokharkar
The aim of the present study was to establish the potential of montelukast loaded nanostructured lipid carrier (MNLC) for pulmonary application. The formulated nanoparticles were evaluated in vitro for aerodynamic characterization and in vivo for pulmokinetics in Wistar rats. The in vitro cytotoxicity was performed on A549 cell line and compared with montelukast-aqueous solution. MNLC was prepared with montelukast (0.2%), Precirol ATO5 (solid lipid), and Capryol-90 (liquid lipid) in the ratio of 7:3 using melt-emulsification-homogenization method...
September 2014: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/24982956/master-slave-control-scheme-in-electric-vehicle-smart-charging-infrastructure
#9
Ching-Yen Chung, Joshua Chynoweth, Chi-Cheng Chu, Rajit Gadh
WINSmartEV is a software based plug-in electric vehicle (PEV) monitoring, control, and management system. It not only incorporates intelligence at every level so that charge scheduling can avoid grid bottlenecks, but it also multiplies the number of PEVs that can be plugged into a single circuit. This paper proposes, designs, and executes many upgrades to WINSmartEV. These upgrades include new hardware that makes the level 1 and level 2 chargers faster, more robust, and more scalable. It includes algorithms that provide a more optimal charge scheduling for the level 2 (EVSE) and an enhanced vehicle monitoring/identification module (VMM) system that can automatically identify PEVs and authorize charging...
2014: TheScientificWorldJournal
https://www.readbyqxmd.com/read/24911214/docking-based-3d-qsar-study-of-pyridyl-aminothiazole-derivatives-as-checkpoint-kinase-1-inhibitors
#10
A Balupuri, P K Balasubramanian, C G Gadhe, S J Cho
Checkpoint kinase 1 (Chk1) is a promising target for the design of novel anticancer agents. In the present work, molecular docking simulations and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed on pyridyl aminothiazole derivatives as Chk1 inhibitors. AutoDock was used to determine the probable binding conformations of all the compounds inside the active site of Chk1. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models were developed based on the docking conformations and alignments...
2014: SAR and QSAR in Environmental Research
https://www.readbyqxmd.com/read/24878424/montelukast-loaded-nanostructured-lipid-carriers-part-i-oral-bioavailability-improvement
#11
Arpana Patil-Gadhe, Varsha Pokharkar
The purpose of the study was to formulate montelukast-loaded nanostructured lipid carrier (MNLC) to improve its systemic bioavailability, avoid hepatic metabolism and reduce hepatic cellular toxicity due to metabolites. MNLC was prepared using melt-emulsification-homogenization method. Preformulation study was carried out to evaluate drug-excipient compatibility. MNLCs were prepared using spatially different solid and liquid lipid triglycerides. CAE (DL-Pyrrolidonecarboxylic acid salt of L-cocyl arginine ethyl ester), a cationic, biodegradable, biocompatible surfactant was used to stabilize the system...
September 2014: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/24759688/a-protoberberine-derivative-hwy336-selectively-inhibits-mkk4-and-mkk7-in-mammalian-cells-the-importance-of-activation-loop-on-selectivity
#12
Namil Kim, Jeongyeon Park, Changdev G Gadhe, Seung Joo Cho, Youngjin Oh, Donghyun Kim, Kiwon Song
A protoberberine derivative library was used to search for selective inhibitors against kinases of the mitogen-activated protein kinase (MAPK) cascades in mammalian cells. Among kinases in mammalian MAPK pathways, we identified a compound (HWY336) that selectively inhibits kinase activity of mitogen-activated protein kinase kinase 4 and 7 (MKK4 and MKK7). The IC50 of HWY336 was 6 µM for MKK4 and 10 µM for MKK7 in vitro. HWY336 bound to both kinases reversibly via noncovalent interactions, and inhibited their activity by interfering with access of a protein substrate to its binding site...
2014: PloS One
https://www.readbyqxmd.com/read/24706137/thermodynamic-analysis-of-marine-bacterial-attachment-to-oligo-ethylene-glycol-terminated-self-assembled-monolayers
#13
Linnea K Ista, Gabriel P López
Colloidal models are frequently used to model the thermodynamics of bacterial attachment to surfaces. The most commonly used of such models is that proposed by van Oss, Chaudhury and Good, which includes both non-polar and polar (including hydrogen bonding) interactions between the attaching bacterium, the attachment substratum and the aqueous environment. We use this model to calculate the free energy of adhesion, ∆Gadh, for attachment of the marine bacterium Cobetia marina to well defined attachment substrata that systematically vary in their chemistry and their ability to attach bacteria, namely a series of oligo(ethylene glycol) (OEG) terminated self-assembled monolayers that vary in the number of OEG moieties...
December 2013: Biointerphases
https://www.readbyqxmd.com/read/24377324/novel-ionophores-with-2n-crown-n-topology-anion-sensing-via-pure-aliphatic-c-h%C3%A2-%C3%A2-%C3%A2-anion-hydrogen-bonding
#14
Genggongwo Shi, Changdev G Gadhe, Sung-Woo Park, Kwang S Kim, Jongmin Kang, Humaira Seema, N Jiten Singh, Seung Joo Cho
A series of novel coronands having a 2n-crown-n topology based on trioxane (6-crown-3) derivatives are designed and characterized. These neutral hosts can sense anions through pure aliphatic C-H hydrogen bonding (HB) in condensed phases due to the unusual topology of 2n-crown-n. C-H bonds are strongly polarized by two adjacent oxygen atoms in this scaffold. These hosts provide a rare opportunity to modulate anion binding strength by changing the electronic nature of aliphatic C-H bonds and offer ease of synthesis...
January 17, 2014: Organic Letters
https://www.readbyqxmd.com/read/24338530/in-silico-study-on-indole-derivatives-as-anti-hiv-1-agents-a-combined-docking-molecular-dynamics-and-3d-qsar-study
#15
Anand Balupuri, Changdev G Gadhe, Pavithra K Balasubramanian, Gugan Kothandan, Seung Joo Cho
The HIV-1 envelope glycoprotein gp120 plays a vital role in the entry of virus into the host cells and is a potential antiviral drug target. Recently, indole derivatives have been reported to inhibit HIV-1 through binding to gp120, and this prevents gp120 and CD4 interaction to inhibit the infectivity of HIV-1. In this work, molecular docking, molecular dynamics (MD) and three-dimensional quantitative structure-activity relationship studies were carried out. Molecular docking studies of the most active and the least active compounds were performed to identify important residues in the binding pocket...
August 2014: Archives of Pharmacal Research
https://www.readbyqxmd.com/read/24268472/pretreatment-of-banana-agricultural-waste-for-bio-ethanol-production-individual-and-interactive-effects-of-acid-and-alkali-pretreatments-with-autoclaving-microwave-heating-and-ultrasonication
#16
Jagdish Gabhane, S P M Prince William, Abhijit Gadhe, Ritika Rath, Atul Narayan Vaidya, Satish Wate
Banana agricultural waste is one of the potential lignocellulosic substrates which are mostly un-utilized but sufficiently available in many parts of the world. In the present study, suitability of banana waste for biofuel production with respect to pretreatment and reducing sugar yield was assessed. The effectiveness of both acid and alkali pretreatments along with autoclaving, microwave heating and ultrasonication on different morphological parts of banana (BMPs) was studied. The data were statistically analyzed using ANOVA and numerical point prediction tool of MINITAB RELEASE 14...
February 2014: Waste Management
https://www.readbyqxmd.com/read/24066798/modeling-study-of-phenylsulfonylfuroxan-derivatives-as-p-gp-inhibitors-a-combined-approach-of-comfa-comsia-and-hqsar
#17
Changdev G Gadhe, Anand Balupuri, Pavithra K Balasubramanian, Seung Joo Cho
Multidrug resistance (MDR) is a phenomenon whereby cancer cells experience intrinsic or acquired resistance to a broad spectrum of structurally and functionally distinct chemotherapeutic agents. Permeability glycoprotein (P-gp) is the key protein responsible for the development of MDR in cancer cells, as it exports chemotherapeutic agents from cells. In the present study, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and hologram quantitative structure activity relationship (HQSAR) techniques were used to derive predictive models for phenylsulfonylfuroxan derivatives as P-gp inhibitors...
2014: Anti-cancer Agents in Medicinal Chemistry
https://www.readbyqxmd.com/read/23916767/single-step-spray-drying-method-to-develop-proliposomes-for-inhalation-a-systematic-study-based-on-quality-by-design-approach
#18
COMPARATIVE STUDY
Arpana Patil-Gadhe, Varsha Pokharkar
Quality by Design (QbD) is a systematic approach to develop drug products which includes evaluation of formulation parameters to achieve defined final product quality. In the present study principles of QbD were extended to the preparation, in-vitro and in-vivo performance of rifapentine-loaded proliposomes for pulmonary inhalation where final product needs to comply with specific properties. The rifapentine-loaded proliposomes for the treatment of tuberculosis were prepared in single step by spray drying method and independent variables were optimized using factorial design approach...
April 2014: Pulmonary Pharmacology & Therapeutics
https://www.readbyqxmd.com/read/23796247/in-silico-study-of-desmosdumotin-as-an-anticancer-agent-homology-modeling-docking-and-molecular-dynamics-simulation-approach
#19
Changdev G Gadhe, Gugan Kothandan, Seung Joo Cho
P-glycoprotein (P-gp) is responsible for the multidrug resistance (MDR) and involved in the expulsion of xenobiotics out of cell. In this paper, homology modeling, docking and molecular dynamics simulation (MDS) was performed for the human P-gp desmosdumotin inhibitor. Docking study was carried out in the P-gp nucleotide binding domain 2 (NBD2). The desmosdumotin binding region occupied the ATP binding region (flavonoid binding region) with hydrophobic and hydrophilic interactions. Analysis of root mean square deviations (RMSDs) of active site residues indicated the binding site residues were stable throughout the simulation period...
December 2013: Anti-cancer Agents in Medicinal Chemistry
https://www.readbyqxmd.com/read/23461969/theoretical-characterization-of-galanin-receptor-type-3-gal3-and-its-interaction-with-agonist-galanin-and-antagonists-snap-37889-and-snap-398299-an-in-silico-analysis
#20
Gugan Kothandan, Changdev G Gadhe, Seung J Cho
In this study, we report on modeling of galanin receptor type 3 and its interaction with agonist and antagonists using in silico methodologies. Comparative structural modeling of galanin receptor type 3 was based on multiple templates. With the availability of reported selective galanin receptor type 3 antagonists, docking was carried out into the predicted binding site. Similarly, galanin, a reported agonist, was also modeled and then docked into the receptor's active site. CoMFA models were developed using ligand-based (q(2)  = 0...
June 2013: Chemical Biology & Drug Design
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