Computational methods to identify metabolic sub-networks based on metabolomic profiles
Untargeted metabolomics makes it possible to identify compounds that undergo significant
changes in concentration in different experimental conditions. The resulting metabolomic …
changes in concentration in different experimental conditions. The resulting metabolomic …
Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii
MurF ligase catalyzes the final cytoplasmic step of bacterial peptidoglycan biosynthesis and,
as such, is a validated target for therapeutic intervention. Herein, we performed molecular …
as such, is a validated target for therapeutic intervention. Herein, we performed molecular …
Identification and Characterization of Potential Therapeutic Candidates in Emerging Human Pathogen Mycobacterium abscessus: A Novel Hierarchical In Silico …
B Shanmugham, A Pan - PloS one, 2013 - journals.plos.org
Mycobacterium abscessus, a non-tuberculous rapidly growing mycobacterium, is
recognized as an emerging human pathogen causing a variety of infections ranging from …
recognized as an emerging human pathogen causing a variety of infections ranging from …
[HTML][HTML] An insight into the exploration of druggable genome of Streptococcus gordonii for the identification of novel therapeutic candidates
The discovery of novel drug targets of a genome that can bind with high affinity to drug-like
compounds is a significant challenge in drug development. Streptococcus gordonii initiates …
compounds is a significant challenge in drug development. Streptococcus gordonii initiates …
Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration
Background: Shigella flexneri is a gram negative bacteria that causes the infectious disease
“shigellosis.” S. flexneri is responsible for developing diarrhea, fever, and stomach cramps in …
“shigellosis.” S. flexneri is responsible for developing diarrhea, fever, and stomach cramps in …
The hazardous effects of the environmental toxic gases on amyloid beta-peptide aggregation: A theoretical perspective
Alzheimer's disease (AD) is one of the leading causes of dementia in elderly people. It has
been well documented that the exposure to environmental toxins such as CO, CO 2, SO 2 …
been well documented that the exposure to environmental toxins such as CO, CO 2, SO 2 …
[PDF][PDF] Potential drug target identification in porphyromonas gingivalis using in-silico subtractive metabolic pathway analysis
Introduction: Porphyromonas Gingivalis (P. gingivalis) a primary periodontal disease
pathogen. This bacterium affects sub-gingival tissue and leads to loss of teeth and alveolar …
pathogen. This bacterium affects sub-gingival tissue and leads to loss of teeth and alveolar …
Computational screening of potential drug targets for pathogens causing bacterial pneumonia
Streptococcus pneumoniae is widely recognized as the main cause of bacterial pneumonia
among all age groups. Other important gram-positive, gram-negative and atypical bacteria …
among all age groups. Other important gram-positive, gram-negative and atypical bacteria …
Prioritization of potential drug targets and antigenic vaccine candidates against Klebsiella aerogenes using the computational subtractive proteome-driven approach
V Chakkyarath, A Shanmugam, J Natarajan - Journal of Proteins and …, 2021 - Springer
Klebsiella aerogenes is a multidrug-resistant Gram-negative bacterium that causes
nosocomial infections. The organism showed resistance to most of the conventional …
nosocomial infections. The organism showed resistance to most of the conventional …
Unraveling novel broad-spectrum antibacterial targets in food and waterborne pathogens using comparative genomics and protein interaction network analysis
A Jadhav, B Shanmugham, A Rajendiran… - Infection, Genetics and …, 2014 - Elsevier
Food and waterborne diseases are a growing concern in terms of human morbidity and
mortality worldwide, even in the 21st century, emphasizing the need for new therapeutic …
mortality worldwide, even in the 21st century, emphasizing the need for new therapeutic …