Results 181 to 190 of about 985,996 (219)

IDENTIFYING LEAD COMPOUNDS FOR POTENTIAL ANTI-TUBERCULOSIS DRUGS BY IN SILICO MYCOBACTERIUM TUBERCULOSIS SHIKIMATE KINASE INHIBITORS SELECTION OF CHEMICAL LIBRARY

International Journal of Applied Pharmaceutics
Objective: The present study aimed to identify Shikimate Kinase (SK) inhibitors as antitubercular agents from a chemical library by the utilization of molecular docking simulation, pharmacophore evaluation, and Absorption, Distribution, Metabolism ...
N. B. Nugroho, Bella Etika, S. Rahayu, Aji Wibowo, Eka Siska   +4 more
semanticscholar   +1 more source

The three-dimensional structure of shikimate kinase.

Journal of molecular biology, 1998
The three-dimensional structure of shikimate kinase from Erwinia chrysanthemi has been determined by multiple isomorphous replacement. Two models are presented: a high resolution 1.9 A model and a 2.6 A model which contains bound Mg-ADP. The enzyme is an alpha/beta protein consisting of a central sheet of five parallel beta-strands flanked by alpha ...
T, Krell, J R, Coggins, A J, Lapthorn
openaire   +2 more sources

Computational Investigations on Inhibitors of Mycobacterium tuberculosis Shikimate Kinase: Machine Learning, Docking, Molecular Dynamics and Free Energy Calculations

Journal of the Brazilian Chemical Society
Shikimate kinase emerges as an intriguing macromolecular target for the development of novel pharmaceutical agents for the treatment of tuberculosis.
Anderson J. A. B. dos Santos, Paulo A. Netz   +1 more
semanticscholar   +1 more source

Structure-based Discovery of Narirutin as a Shikimate Kinase Inhibitor with Anti-tubercular Potency.

Current Computer - Aided Drug Design, 2020
BACKGROUND Shikimate pathway is essential for tubercular bacillus but it is absent in mammals. Therefore, shikimate kinase and other enzymes in the pathway are potential targets for the development of novel anti-tuberculosis drugs.
P. Sahu, P. Mohapatra, Dhanji P Rajani, M. K. Raval   +3 more
semanticscholar   +1 more source

Interaction of shikimic acid with shikimate kinase.

Biochemical and biophysical research communications, 2005
The crystal structure of shikimate kinase from Mycobacterium tuberculosis (MtSK) complexed with MgADP and shikimic acid (shikimate) has been determined at 2.3A resolution, clearly revealing the amino acid residues involved in shikimate binding. In MtSK, the Glu61 strictly conserved in SK forms a hydrogen bond and salt-bridge with Arg58 and assists in ...
José Henrique, Pereira, Jaim Simões, de Oliveira, Fernanda, Canduri, Marcio Vinicius Bertacine, Dias, Mário Sérgio, Palma, Luiz Augusto, Basso, Walter Filgueira, de Azevedo, Diógenes Santiago, Santos   +7 more
openaire   +1 more source

Stimulation by thioredoxin of shikimate kinase from spinach chloroplasts

Physiologia Plantarum, 1987
The activity of shikimate kinase (EC 2.7.1.71) from spinach (Spinacia oleracea L.) chloroplasts was increased up to 8.5‐fold by addition of thioredoxin and dithio‐threitol.
C. L. Schmidt, G. Schultz
openaire   +1 more source

Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis

Bioorganic & Medicinal Chemistry, 2008
Bacillus anthracis has been used as weapon in bioterrorist activities, with high mortality, despite anti-microbial treatment, which strongly indicates a need of new drugs to treat anthrax. Shikimate Pathway is a seven-step biosynthetic route which generates chorismic acid.
Ivani, Pauli, Rafael Andrade, Caceres, Walter Filgueira, de Azevedo   +2 more
openaire   +2 more sources

Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue^,

Biochemistry, 2006
Shikimate kinase (SK) and other enzymes in the shikimate pathway are potential targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs, because the pathway is essential in microorganisms, plants, and parasites but absent from mammals. SK catalyzes the reaction of phosphoryl transfer from ATP to shikimic acid (SA). Since
Jianhua, Gan, Yijun, Gu, Yue, Li, Honggao, Yan, Xinhua, Ji   +4 more
openaire   +2 more sources

Shikimate Kinase: A Potential Target for Development of Novel Antitubercular Agents

Current Drug Targets, 2007
Tuberculosis (TB) remains the leading cause of mortality due to a bacterial pathogen, Mycobacterium tuberculosis. However, no new classes of drugs for TB have been developed in the past 30 years. Therefore there is an urgent need to develop faster acting and effective new antitubercular agents, preferably belonging to new structural classes, to better ...
José H, Pereira, Igor B, Vasconcelos, Jaim S, Oliveira, Rafael A, Caceres, Walter F, de Azevedo, Luis A, Basso, Diógenes S, Santos   +6 more
openaire   +2 more sources

Folding and stability of shikimate kinase

2002
Shikimate kinase (SK; EC 2.7.1.71), an enzyme that catalyses the specific phosphorylation of the 3-hydroxyl group of shikimate using ATP as the phosphoryl donor, was chosen as a representative example of a subclass of a/p proteins with which to examine the unfolding, stability and mechanism of protein folding.
openaire   +2 more sources