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Andrej Dujella

University of Zagreb

Hemin Koyi

Uppsala University

Jana Javornik

University of East London

Graham Martin

University of Leicester

Gwen Robbins Schug

University of North Carolina at Greensboro

Gabriel Gutierrez-Alonso

University of Salamanca

John Sutton

Macquarie University

Eros Carvalho

Universidade Federal do Rio Grande do Sul

Kevin Arbuckle

Swansea University

Jesper Hoffmeyer

University of Copenhagen

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Papers by poonam singh

Electrochemical microalgae harvesting process by using non-sacrificial carbon electrode: An effective and advance option for biodiesel production

Molecular insights on analogs of HIV PR inhibitors toward HTLV-1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV-1 PR

Journal of molecular recognition : JMR, 2014

Retroviruses HTLV-1 and HIV-1 are the primary causative agents of fatal adult T-cell leukemia and... more Retroviruses HTLV-1 and HIV-1 are the primary causative agents of fatal adult T-cell leukemia and acquired immune deficiency syndrome (AIDS) disease. Both retroviruses are similar in characteristics mechanism, and it encodes for protease that mainly involved in the viral replication process. On the basis of the therapeutic success of HIV-1 PR inhibitors, the protease of HTLV-1 is mainly considered as a potential target for chemotherapy. At the same time, structural similarities in both enzymes that originate HIV PR inhibitors can also be an HTLV-1 PR inhibitor. But the expectations failed because of rejection of HIV PR inhibitors from the HTLV-1 PR binding pocket. In this present study, the reason for the HIV PR inhibitor rejection from the HTLV-1 binding site was identified through sequence analysis and molecular dynamics simulation method. Functional analysis of M37A mutation in HTLV PR clearly shows that the MET37 specificity and screening of potential inhibitors targeting MET37 ...

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Electrochemical harvesting process for microalgae by using nonsacrificial carbon electrode: A sustainable approach for biodiesel production

Chemical Engineering Journal, 2014

h i g h l i g h t s Electrochemical harvesting of algae employing non-sacrificial carbon electrod... more h i g h l i g h t s Electrochemical harvesting of algae employing non-sacrificial carbon electrode. Anode depletion and accompanying metallic contamination can be completely avoided. Effect of operating condition on lipid recovery and composition are evaluated. Electrochemical process has no adverse effect on the lipid extraction process. Striking recovery at low energy consumption by applying nonsacrificial electrodes.

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Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach

Journal of Molecular Recognition, 2012

Cyclin-dependent kinases (CDKs) are core components of the cell cycle machinery that govern the t... more Cyclin-dependent kinases (CDKs) are core components of the cell cycle machinery that govern the transition between phases during cell cycle progression. Abnormalities in CDKs activity and regulation are common features of cancer, making CDK family members attractive targets for the development of anticancer drugs. Their inhibitors have entered in clinical trials to treat cancer. Very recently, Heathcote et al. (J. Med. Chem. 2010, 53:8508-8522) have found a ligand BS194 that has a high affinity with CDK2 (IC(50) = 3 nM) but shows low affinity with CDK1 (IC(50) = 30 nM). To understand the selectivity, we used homology modeling, molecular docking, molecular dynamics, and free-energy calculation to analyze the interactions. A rational three-dimensional model of the CDK1/BS194 complex is built. We found that Leu83 is a key residue that recognizes BS194 more effectively with CDK2 with good binding free energies rather than CDK1. Energetic analysis reveals that van der Waals interaction and non-polar contributions to solvent are favorable in the formation of complexes and amine group of the ligand, which plays a crucial role for binding selectivity between CDK2 and CDK1.

Bacterial decolorization and degradation of azo dyes

International Biodeterioration & Biodegradation, 2007

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Degradation of 4-aminobenzenesulfonate by alginate encapsulated cells of Agrobacterium sp. PNS-1

Bioresource Technology, 2006

Studies were carried out on 4-aminobenzenesulfonate (4-ABS) degradation by free and alginate entr... more Studies were carried out on 4-aminobenzenesulfonate (4-ABS) degradation by free and alginate entrapped cells of Agrobacterium sp. PNS-1. Degradation rate in batch reactors with free cells was marginally higher than Ca-encapsulated cells. Comparison of Ca 2+ and Ba 2+ as gelling agents showed that 4-ABS removal rate was significantly less with Ba-alginate entrapped cells. Specific degradation rates, using linear regression analysis and based on the initial biomass in the beads, varied from 49.7 mg/mg biomass/h to 92.0 mg/mg biomass/ h for Ca-alginate encapsulated cells for different initial 4-ABS concentrations ranging from 200 to 800 mg/L. UV spectra of the aliquots drawn at different time intervals from batch reactors did not show accumulation of any intermediate during degradation. Ca-alginate immobilized cells could be repeatedly reused upto five cycles without any loss of activity. Studies with packed bed reactors, operated in a semi-continuous mode, showed that this could be used for 4-ABS degradation.

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Mineralization of 4-aminobenzenesulfonate (4-ABS) by Agrobacterium sp. strain PNS-1

Biodegradation, 2006

A bacterial strain, PNS-1, isolated from activated sludge, could utilize sulphanilic acid (4-ABS)... more A bacterial strain, PNS-1, isolated from activated sludge, could utilize sulphanilic acid (4-ABS) as the sole organic carbon and energy source under aerobic conditions. Determination and comparison of 16S r DNA sequences showed that the strain PNS-1 is closely related to the species of Agrobacterium genus. Growth on 4-ABS was accompanied with ammonia and sulfate release. TOC results showed complete mineralization of sulphanilic acid. This strain was highly specific for 4-ABS as none of the sulphonated aromatics used in the present study including other ABS isomers were utilized. Strain PNS-1 could, however, utilize all the tested monocyclic aromatic compounds devoid of a sulfonate group. No intermediates could be detected either in the growth phase or with dense cell suspensions. Presence of chloramphenicol completely inhibited 4-ABS degradation by cells pregrown on succinate, indicating that degradation enzymes are inducible. No plasmid could be detected in the Agrobacterium sp. Strain PNS-1 suggesting that 4-ABS degradative genes may be chromosomal encoded.

Characterization of rhizospheric bacteria Bacillus licheniformis 9555 and analysis of antifungal action

ABSTRACT: Rhizospheric bacteria Bacillus licheniformis 9555 was characterized at optimum conditio... more ABSTRACT: Rhizospheric bacteria Bacillus licheniformis 9555 was characterized at optimum conditions for effective growth. The bacteria showed maximum growth at pH 7 and a temperature of 37 C. The most efficient carbon sources were maltose and dextrose and the nitrogen sources were ammonium chloride and ammonium acetate. The microbe produced the enzyme chitinase which was correlated to the antagonistic potential of bacteria against the phytopathogenic fungus Drechslera oryzae. The optimum requirements for effective ...

Mixture Designs in orthogonal blocks using F-squares

… -International Journal of …, 2009

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