[HTML][HTML] Pharmacological properties and underlying mechanisms of curcumin and prospects in medicinal potential
YS Fu, TH Chen, L Weng, L Huang, D Lai… - Biomedicine & …, 2021 - Elsevier
Curcumin, isolated from Curcuma longa L., is a fat-soluble natural compound that can be
obtained from ginger plant tuber roots, which accumulative evidences have demonstrated …
obtained from ginger plant tuber roots, which accumulative evidences have demonstrated …
Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential …
G Lanka, D Begum, S Banerjee, N Adhikari… - Computers in Biology …, 2023 - Elsevier
Abstract Histone deacetylase 3 (HDAC3) is an epigenetic regulator that involves gene
expression, apoptosis, and cell cycle progression, and the overexpression of HDAC3 is …
expression, apoptosis, and cell cycle progression, and the overexpression of HDAC3 is …
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 …
Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches
The recently emerged COVID-19 has been declared a pandemic by the World Health
Organization as to date; no therapeutic drug/vaccine is available for the treatment. Due to …
Organization as to date; no therapeutic drug/vaccine is available for the treatment. Due to …
In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential …
With an alarming increase in the number of cancer patients and a variety of tumors, it is high
time for intensive investigation on more efficient and potent anti-tumor agents. Though …
time for intensive investigation on more efficient and potent anti-tumor agents. Though …
Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors
N-Methyl-d-aspartate receptor (NMDAR)-mediated excitotoxicity has been implicated in
multi-neurodegenerative diseases. Owing to dearth of efficacy and adverse effects of NMDA …
multi-neurodegenerative diseases. Owing to dearth of efficacy and adverse effects of NMDA …
Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors
Monoamine Oxidase B is considered a successful target for developing antiparkinsonian
drugs. Due to the side effects of current MAO-B inhibitors, there's an urgent need for novel …
drugs. Due to the side effects of current MAO-B inhibitors, there's an urgent need for novel …
Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC)
T790M mutation is the most common mechanism of acquired resistance to first-generation
epidermal growth factor receptor tyrosine kinase inhibitors (EGFR-TKIs). To overcome this …
epidermal growth factor receptor tyrosine kinase inhibitors (EGFR-TKIs). To overcome this …
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition
Dengue virus (DENV) serine protease enzyme, ie NS2B-NS3pro (non-structural protein 2B-
non-structural protein 3) has been approved as prime drug target for the drug discovery …
non-structural protein 3) has been approved as prime drug target for the drug discovery …
Computer-aided drug design of novel derivatives of 2-amino-7, 9-dihydro-8H-purin-8-one as potent Pan-Janus JAK3 inhibitors
Rheumatoid arthritis (RA) remains one of the most prevalent autoimmune diseases
worldwide. Janus kinase 3 (JAK3) is an essential enzyme for treating autoimmune diseases …
worldwide. Janus kinase 3 (JAK3) is an essential enzyme for treating autoimmune diseases …