Flavonoids as potential KRAS inhibitors: DFT, molecular docking, molecular dynamics simulation and ADMET analyses
KRAS mutations linked with cancer. Flavonoids were docked against KRAS G12C and
G12D receptors. Abyssinone III, alpha naphthoflavone, beta naphthoflavone, abyssinone I …
G12D receptors. Abyssinone III, alpha naphthoflavone, beta naphthoflavone, abyssinone I …
Assessment of iridoids and their similar structures as antineoplastic drugs by in silico approach
P Neupane, J Adhikari Subin… - Journal of Biomolecular …, 2024 - Taylor & Francis
Iridoids commonly found in plants as secondary metabolites have been reported to possess
significant biological activities such as anticancer, antioxidant, hypoglycemic, antimicrobial …
significant biological activities such as anticancer, antioxidant, hypoglycemic, antimicrobial …
Improved microalgae carbon fixation and microplastic sedimentation in the lake through in silico method
M Du, Q Pu, Y Xu, Y Li, X Li - Science of The Total Environment, 2024 - Elsevier
The impact of microplastics in lake water environments on microalgae carbon fixation and
microplastic sedimentation has attracted global attention. The molecular dynamic simulation …
microplastic sedimentation has attracted global attention. The molecular dynamic simulation …
[PDF][PDF] In silico assessment of the role of iridoid in the treatment of Zika and influenza virus infection
Iridoids have been showing anticancer, antiproliferative, cardioprotective, hepatoprotective,
antihyperglycemic, and immune stimulatory activities. Zika and H3N2 viruses belong to the …
antihyperglycemic, and immune stimulatory activities. Zika and H3N2 viruses belong to the …
[HTML][HTML] Development of newer generation Vascular endothelial growth factor Receptor-2 Inhibitors: Pharmacophore based design, virtual Screening, molecular …
Abstract Vascular Endothelial Growth Factor (VEGF) has a greater impact on
carcinogenesis, and it is the most significant receptor in mediating the mutagenesis and …
carcinogenesis, and it is the most significant receptor in mediating the mutagenesis and …
Exploring marine-derived bioactive compounds for dual inhibition of Pseudomonas aeruginosa LpxA and LpxD: integrated bioinformatics and cheminformatics …
Pseudomonas aeruginosa can cause serious nosocomial infections. Targeting the
biosynthesis of Lipid A, a major structural domain of lipopolysaccharide (LPS) in P …
biosynthesis of Lipid A, a major structural domain of lipopolysaccharide (LPS) in P …
QSAR model to develop newer generation GSK-3β inhibitors targeting Alzheimer
In the year 2022 most of the patients affected by the disease was around 65 year age.
Among total number of patients, 73% were near 75 year or older age. It was also stated that …
Among total number of patients, 73% were near 75 year or older age. It was also stated that …