Molecular docking and molecular dynamics simulation-based identification of natural inhibitors against druggable human papilloma virus type 16 target
A Hidayatullah, WE Putra, S Sustiprijatno… - Trends in …, 2023 - tis.wu.ac.th
The E5 protein is the smallest known oncoprotein linked to HPV 16 cancer development. In
this study, we determined the potential of asarinin and thiazolo as an inhibitor of the E5 …
this study, we determined the potential of asarinin and thiazolo as an inhibitor of the E5 …
[HTML][HTML] Structure-Based Drug Design for TSPO: Challenges and Opportunities
The translocator protein 18 kDa (TSPO) is an evolutionarily conserved mitochondrial
transmembrane protein implicated in various neuropathologies and inflammatory conditions …
transmembrane protein implicated in various neuropathologies and inflammatory conditions …
[HTML][HTML] Computational approaches: drug discovery and design in medicinal chemistry and bioinformatics
M Tutone, AM Almerico - Molecules, 2021 - mdpi.com
To date, computational approaches have been recognized as a key component in drug
design and discovery workflows. Developed to help researchers save time and reduce …
design and discovery workflows. Developed to help researchers save time and reduce …
Discovery and design of radiopharmaceuticals by in silico methods
M Salahinejad, DA Winkler… - Current …, 2022 - ingentaconnect.com
There has been impressive growth in the use of radiopharmaceuticals for therapy, selective
toxic payload delivery, and noninvasive diagnostic imaging of disease. The increasing …
toxic payload delivery, and noninvasive diagnostic imaging of disease. The increasing …
[PDF][PDF] Molecular docking and dynamics simulation studies to predict multiple medicinal plants' bioactive compounds interaction and its behavior on the surface of …
The envelope protein (E) is a fusion class II protein that is essential for DENV fusion. We use
two active compounds derived from commonly used plants in Indonesia: galangin and …
two active compounds derived from commonly used plants in Indonesia: galangin and …
Construction of dimeric hTSPO protein model using homology modeling and molecular dynamics
A model for the dimeric form of the human TSPO (hTSPO) protein is constructed
homologically using the RsTSPO dimer template. Then, Molecular dynamics simulation of …
homologically using the RsTSPO dimer template. Then, Molecular dynamics simulation of …