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Application of molecular dynamics simulation for exploring the roles of plant biomolecules in promoting environmental health
J Wu, T Gao, H Guo, L Zhao, S Lv, J Lv, R Yao… - Science of The Total …, 2023 - Elsevier
Understanding the dynamic changes of plant biomolecules is vital for exploring their
mechanisms in the environment. Molecular dynamics (MD) simulation has been widely used …
mechanisms in the environment. Molecular dynamics (MD) simulation has been widely used …
[HTML][HTML] Quercetin antagonizes the sedative effects of linalool, possibly through the GABAergic interaction pathway
Sedatives promote calmness or sleepiness during surgery or severely stressful events. In
addition, depression is a mental health issue that negatively affects emotional well-being. A …
addition, depression is a mental health issue that negatively affects emotional well-being. A …
Antiemetic effects of sclareol, possibly through 5-HT3 and D2 receptor interaction pathways: in-vivo and in-silico studies
Background Emesis is a complex physiological phenomenon that serves as a defense
against numerous toxins, stressful situations, adverse medication responses, chemotherapy …
against numerous toxins, stressful situations, adverse medication responses, chemotherapy …
[HTML][HTML] Biological Synthesis, Characterization, and Therapeutic Potential of S. commune-Mediated Gold Nanoparticles
Green-synthesized gold nanoparticles demonstrate several therapeutic benefits due to their
safety, non-toxicity, accessibility, and ecological acceptance. In our study, gold nanoparticles …
safety, non-toxicity, accessibility, and ecological acceptance. In our study, gold nanoparticles …
Drug repurposing approach against chikungunya virus: an in vitro and in silico study
The chikungunya virus (CHIKV) is an alphavirus transmitted by Aedes mosquitoes. There
are no licenced antivirals or vaccines for treatment or prevention. Drug repurposing …
are no licenced antivirals or vaccines for treatment or prevention. Drug repurposing …
Multitargeted virtual screening and molecular simulation of natural product-like compounds against GSK3β, NMDA-receptor, and BACE-1 for the management of …
The complexity of Alzheimer's disease (AD) and several side effects of currently available
medication inclined us to search for a novel natural cure by targeting multiple key regulatory …
medication inclined us to search for a novel natural cure by targeting multiple key regulatory …
[HTML][HTML] New insights into molecular mechanisms underlying neurodegenerative disorders
Neurodegenerative disorders remain a major burden for our society, affecting millions of
people worldwide. Due to the symptomatic nature of current treatments without affecting the …
people worldwide. Due to the symptomatic nature of current treatments without affecting the …
Investigation of bioremediation for glyphosate and its metabolite in soil using arbuscular mycorrhizal GmHsp60 protein: a molecular docking and molecular dynamics …
The widespread use of glyphosate and the high dependence of the agricultural industry on
this herbicide cause environmental pollution and pose a threat to living organisms. One of …
this herbicide cause environmental pollution and pose a threat to living organisms. One of …
Scopoletin: A Validated Protector against Cerulein-induced Acute Pancreatitis & Associated Lung Injury by Regulating PPAR-γ “A Multidimensional Approach”
S Brahadeeswaran, KK Chitluri, L George… - Molecular …, 2024 - Springer
Our previous study established the effectiveness of scopoletin (SC) in protecting mice
against acute pancreatitis (AP) induced by cerulein and subsequent pulmonary injury …
against acute pancreatitis (AP) induced by cerulein and subsequent pulmonary injury …
Network Pharmacology Reveals Key Targets and Pathways of Madhuca longifolia for Potential Alzheimer's Disease Treatment
Madhuca longifolia, commonly known as the mahua tree, has been traditionally used in
medicine due to its anti-inflammatory, anti-diabetic, and antimicrobial properties. Its active …
medicine due to its anti-inflammatory, anti-diabetic, and antimicrobial properties. Its active …