Application of molecular simulation methods in food science: status and prospects
Y Yu, S Xu, R He, G Liang - Journal of Agricultural and Food …, 2023 - ACS Publications
Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …
simulation, and quantum chemical (QC) calculation, have become popular as …
Translational protein RpsE as an alternative target for novel nucleoside analogues to treat MDR Enterobacter cloacae ATCC 13047: network analysis and molecular …
The pathogenic Enterobacter cloacae subsp. cloacae str. ATCC 13047 has contemporarily
emerged as a multi-drug resistant strain. To formulate an effective treatment option …
emerged as a multi-drug resistant strain. To formulate an effective treatment option …
Unlocking InhA: Novel approaches to inhibit Mycobacterium tuberculosis
Multidrug-resistant tuberculosis continues to pose a health security risk and remains a public
health emergency. Antimicrobial resistance result from treatment regimens that are both …
health emergency. Antimicrobial resistance result from treatment regimens that are both …
Unleashing Nature's potential: a computational approach to discovering novel VEGFR-2 inhibitors from African natural compound using virtual screening, ADMET …
One of the characteristic features of cancer is angiogenesis, the process by which new,
aberrant blood vessels are formed from pre-existing blood vessels. The process of …
aberrant blood vessels are formed from pre-existing blood vessels. The process of …
Differential gene expression analysis combined with molecular dynamics simulation study to elucidate the novel potential biomarker involved in pulmonary TB
S Panchalingam, G Kasivelu, M Jayaraman… - Microbial …, 2023 - Elsevier
Tuberculosis (TB) is a lethal multisystem disease that attacks the lungs' first line of defense.
A substantial threat to public health and a primary cause of death is pulmonary TB. This …
A substantial threat to public health and a primary cause of death is pulmonary TB. This …
Identification of Novel Inhibitor of Enoyl-Acyl Carrier Protein Reductase (InhA) Enzyme in Mycobacterium tuberculosis from Plant-Derived Metabolites: An In Silico …
Mycobacterium tuberculosis (M. tb.) enoyl-acyl carrier protein (ACP) reductase (InhA) is
validated as a useful target for tuberculosis therapy and is considered an attractive enzyme …
validated as a useful target for tuberculosis therapy and is considered an attractive enzyme …
Structure-based in silico screening of marine phlorotannins for potential walrus calicivirus inhibitor
A new calicivirus isolated from a walrus was reported in 2004. Since unknown marine
mammalian zoonotic viruses could pose great risks to human health, this study aimed to …
mammalian zoonotic viruses could pose great risks to human health, this study aimed to …
Mechanistic insights on nsSNPs on binding site of renin and cytochrome P450 proteins: A computational perceptual study for pharmacogenomics evaluation
L Loganathan, BB Kuriakose, S Mushfiq… - Journal of Cellular …, 2021 - Wiley Online Library
Past several decades, therapeutic investigations lead to the discovery of numerous
antihypertensive drugs. Although it has been proved for their potency, altered efficacy is …
antihypertensive drugs. Although it has been proved for their potency, altered efficacy is …
[HTML][HTML] Discovery of new naphthyridine hybrids against enoyl-ACP reductase (inhA) protein target of Mycobacterium tuberculosis: Molecular docking, molecular …
G Sabarees, V Velmurugan, VR Solomon - Chemical Physics Impact, 2023 - Elsevier
Tuberculosis (TB) is caused by Mycobacterium tuberculosis (Mtb) and remains a significant
global public health concern, with many new cases reported annually. Despite …
global public health concern, with many new cases reported annually. Despite …
[HTML][HTML] Antiviral effect of fucoxanthin obtained from Sargassum siliquastrum (Fucales, Phaeophyceae) against severe acute respiratory syndrome coronavirus 2
Human coronavirus diseases, particularly severe acute respiratory syndrome coronavirus 2,
still remain a persistent public health issue, and many recent studies are focusing on the …
still remain a persistent public health issue, and many recent studies are focusing on the …