[HTML][HTML] Computational design, docking, and molecular dynamics simulation study of RNA helicase inhibitors of dengue virus
R Satpathy, S Acharya, R Behera - Journal of Vector Borne …, 2024 - journals.lww.com
Methods: The present study was performed by taking 26 potential derivatives of gedunin
phytochemicals from the PubChem database as ligands. The binding of the compounds was …
phytochemicals from the PubChem database as ligands. The binding of the compounds was …
[PDF][PDF] Computer-Aided Drug Design and Molecular Dynamic Simulations of Inhibitors of Some Autoimmune Disorder Therapeutic Targets
Any disease's etiology and molecular mechanism must be well understood to design an
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …
[HTML][HTML] Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
Current clinical research suggests that inhibitors of protein arginine deiminase 4 (PAD4),
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
Computer-aided Drug Design: Innovation and its Application in Reshaping Modern Medicine
Computer-aided drug design has revolutionized the landscape of drug discovery,
accompanied by a new era of innovation and efficiency of novel therapeutic agents. This …
accompanied by a new era of innovation and efficiency of novel therapeutic agents. This …
Drug-like screening, molecular docking, molecular dynamics simulations, and binding free energies on the interaction of pyrazole derivatives as inhibitors of …
Lysosomal membrane proteins (LAMPs) are a primary target for treating tumors because of
their essential role in the cancer life cycle. In this study, some computational approaches …
their essential role in the cancer life cycle. In this study, some computational approaches …
Phytochemical profiling, antioxidant and nephroprotective activities of Ziziphus lotus Lam. leaf extract in paracetamol-induced renal toxicity in rats and molecular …
Ziziphus lotus Lam. is a medicinal plant that is used mostly in Nigeria and parts of Africa for
treating many diseases. The study was aimed at assessing the phytoconstituents, evaluating …
treating many diseases. The study was aimed at assessing the phytoconstituents, evaluating …
[PDF][PDF] Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Studies of (N-(4-Carbamoylphenyl)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2, 3 …
EI Edache, A Uzairu, PA Mamza, GA Shallangwa… - 2023 - sid.ir
ABSTRACT Coronavirus disease 2019 (COVID-19) is a pandemic disease caused by the
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …