Computational Study of Coumarin Compounds as Potential Inhibitors of Casein Kinase 2: DFT, 2D-QSAR, ADMET and Molecular Docking Investigations
Abstract Casein kinase 2 (CK2) is an ubiquitous, essential, and highly pleiotropic protein
kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic …
kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic …
Structural and molecular features of acetylcholinesterase targeting small molecules: leveraging in silico tools to combat Alzheimer's disease
A Haque, KM Alenezi, MSMA Rasheed - New Journal of Chemistry, 2024 - pubs.rsc.org
Alzheimer's disease (AD) is a progressive neurodegenerative condition that leads to the
gradual decline of neuronal cells. Despite significant interest and investment, complete …
gradual decline of neuronal cells. Despite significant interest and investment, complete …
In Vitro and Molecular Docking Evaluation of the Anticholinesterase and Antidiabetic Effects of Compounds from Terminalia macroptera Guill. & Perr. (Combretaceae)
RT Feunaing, AN Tamfu, AJY Gbaweng, S Kucukaydin… - Molecules, 2024 - mdpi.com
Alzheimer's disease (AD) and diabetes are non-communicable diseases with global
impacts. Inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are …
impacts. Inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are …
Binding patterns of inhibitors to different pockets of kinesin Eg5
N Jia, B Zhang, Z Huo, J Qin, Q Ji, Y Geng - Archives of Biochemistry and …, 2024 - Elsevier
The kinesin-5 family member, Eg5, plays very important role in the mitosis. As a mitotic
protein, Eg5 is the target of various mitotic inhibitors. There are two targeting pockets in the …
protein, Eg5 is the target of various mitotic inhibitors. There are two targeting pockets in the …
Structure-based screening of FDA-approved drugs and molecular dynamics simulation to identify potential leukocyte antigen related protein (PTP-LAR) inhibitors
S Du, XX Zhang, X Gao, YB He - Computational Biology and Chemistry, 2024 - Elsevier
Leukocyte antigen related protein (LAR), a member of the PTP family, has become a
potential target for exploring therapeutic interventions for various complex diseases …
potential target for exploring therapeutic interventions for various complex diseases …
E-pharmacophore based virtual screening of potent lead molecules against Cystic Fibrosis: An in silico study
S Jeyaraman, J Sankar, LS Wong… - … Biology and Chemistry, 2024 - Elsevier
Cystic fibrosis is an autosomal recessive condition caused by mutations in the CFTR gene,
which encodes the CFTR protein. Currently, CF is a life-limiting illness that has a limited …
which encodes the CFTR protein. Currently, CF is a life-limiting illness that has a limited …
Design, Molecular Docking and Molecular Dynamic Simulation of New Heterocyclic Derivatives as Potential Anticancer Agents
DA Abdulqader, MF Mahdi - Al-Rafidain Journal of Medical Sciences (ISSN …, 2024 - ajms.iq
Research Article Design, Molecular Docking and Molecular Dynamic Simulation of New
Heterocyclic Derivatives as Potential Antican Page 1 Abdulqader & Mahdi Heterocyclic …
Heterocyclic Derivatives as Potential Antican Page 1 Abdulqader & Mahdi Heterocyclic …