Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2
Like common cold and flu, SARC-CoV-2 virus spreads by droplets of sneezes or coughs
which virus affects people of various age groups. Today, this virus is almost distributed all …
which virus affects people of various age groups. Today, this virus is almost distributed all …
Molecular recognition of bio-active triterpenoids from Swertia chirayita towards hepatitis Delta antigen: a mechanism through docking, dynamics simulation, Gibbs …
Medicinal plants the underpinning of indigenous herbal serve, are the possible source of
key compounds for the development of new drugs. Hepatitis D, one of the most widespread …
key compounds for the development of new drugs. Hepatitis D, one of the most widespread …
Molecular docking and molecular dynamics simulation studies on PLCE1 encoded protein
SN Sahu, SK Pattanayak - Journal of Molecular Structure, 2019 - Elsevier
Phospholipase C epsilon gene (PLCE1) is encoded the 1-phosphatidylinositol 4, 5-
bisphosphate phosphodiesterase ɛ-1 protein. This protein is characterized by the fetal onset …
bisphosphate phosphodiesterase ɛ-1 protein. This protein is characterized by the fetal onset …
Evaluation of binding performance of bioactive compounds against main protease and mutant model spike receptor binding domain of SARS-CoV-2: Docking, ADMET …
Phytochemicals present in medicinal plants have a variety of biological activities that help to
combat against diseases. As part of efforts to study the binding performance of different …
combat against diseases. As part of efforts to study the binding performance of different …
Identification of phytochemicals from Eclipta alba and assess their potentiality against Hepatitis C virus envelope glycoprotein: virtual screening, docking, and …
Hepatitis C virus has a major role in spreading chronic liver disease and hepatocellular
carcinoma. Factors such as high costs, pharmacological side effects, and the development …
carcinoma. Factors such as high costs, pharmacological side effects, and the development …
State-of-the-art in engineering small molecule biosensors and their applications in metabolic engineering
P Chaisupa, RC Wright - SLAS technology, 2023 - Elsevier
Genetically encoded biosensors are crucial for enhancing our understanding of how
molecules regulate biological systems. Small molecule biosensors, in particular, help us …
molecules regulate biological systems. Small molecule biosensors, in particular, help us …
Computational study to evaluate the potency of phytochemicals in Boerhavia diffusa and the impact of point mutation on cyclin-dependent kinase 2-associated protein …
A protein's function is closely related to its structural properties. Mutations can affect the
functionality of a protein. Different cancer tissues have found disordered expression of the …
functionality of a protein. Different cancer tissues have found disordered expression of the …
Boerhavia diffusa plant extract can be a new potent therapeutics against mutant nephrin protein responsible for type1 nephrotic syndrome: Insight into hydrate-ligand …
Nephrotic syndrome type 1 is an inherited condition in which mutation of NPHS1 gene,
which encodes nephrin protein, results increase permeability of glomerular capillary wall for …
which encodes nephrin protein, results increase permeability of glomerular capillary wall for …
Density functional theory and molecular dynamics simulation support Ganoderma lucidum triterpenoids as broad range antagonist of matrix metalloproteinases
S Bharadwaj, KE Lee, VD Dwivedi, U Yadava… - Journal of Molecular …, 2020 - Elsevier
Matrix metalloproteinases (MMPs) actively caused enzymatic proteolysis of extracellular
matrix (ECM) and cell surface proteins, suggested as critical for connective tissue that results …
matrix (ECM) and cell surface proteins, suggested as critical for connective tissue that results …
Identification of novel potential hepatitis E virus inhibitors as seen from molecular docking, free energy landscape and molecular dynamics simulation studies
Hepatitis E virus (HEV), a non-enveloped and globular protein, is the primary cause of acute
hepatitis. The structural capsid protein encoded by HEV is the open-reading frame 2 gene …
hepatitis. The structural capsid protein encoded by HEV is the open-reading frame 2 gene …