Functional characterization of peanut serine/threonine/tyrosine protein kinase: molecular docking and inhibition kinetics with tyrosine kinase inhibitors

P Rudrabhatla, R Rajasekharan - Biochemistry, 2004 - ACS Publications
… , we have performed molecular docking and kinetic analysis with tyrosine kinase
inhibitors. Here, we report that autophosphorylation of STY protein kinase occurs through an …

FMS-like tyrosine kinase 3 (FLT3) inhibitors: Molecular docking and experimental studies

B Mashkani, MH Tanipour, M Saadatmandzadeh… - European journal of …, 2016 - Elsevier
… and kinase inhibitors (CEP701, PKC412, sunitinib, imatinib and dasatinib) were obtained
through homology modelling and molecular docking… It was shown in this study that the docking

Design, synthesis and molecular docking study of novel quinoxalin-2 (1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying …

SA Galal, SHM Khairat, FAF Ragab… - European Journal of …, 2014 - Elsevier
… with their effect on the human tyrosine kinase (TRK). Compounds 12, … A molecular docking
study was also performed to gain … our compounds compete with the tyrosine kinase to the c-kit …

Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor

M Chalkha, AA el Hassani, A Nakkabi, B Tüzün… - Journal of Molecular …, 2023 - Elsevier
… well in the molecular assembly. The energy of the HOMO and LUMO orbitals, the molecular
… investigated in-silico via molecular docking (MD) towards EGFR tyrosine kinases (PDB ID: …

Ligand-based pharmacophore modeling, molecular docking, and molecular dynamic studies of dual tyrosine kinase inhibitor of EGFR and VEGFR2

F Sangande, E Julianti, DH Tjahjono - International Journal of Molecular …, 2020 - mdpi.com
… combining ligand-based pharmacophore filtering and molecular docking for identifying the
potential compounds that can inhibit tyrosine kinase of EGFR and VEGFR2, simultaneously. …

Pharmacophore modelling, molecular docking and virtual screening for EGFR (HER 1) tyrosine kinase inhibitors

AK Gupta, SS Bhunia, VM Balaramnavar… - SAR and QSAR in …, 2011 - Taylor & Francis
… by protein kinases (PTKs) that regulate important functions. Several protein tyrosine kinases
are … Therefore blocking of tyrosine kinase activity represents a rational approach to cancer …

[HTML][HTML] In silico pharmacokinetic and molecular docking studies of small molecules derived from Indigofera aspalathoides Vahl targeting receptor tyrosine kinases

SK Paramashivam, K Elayaperumal… - …, 2015 - ncbi.nlm.nih.gov
… Anti-angiogenesis targeting tyrosine kinases such as vascular endothelial growth factor
receptor 2 (… In this work, molecular docking studies of three bioflavanoid such as indigocarpan, …

Molecular docking studies of tyrosine kinase inhibitors: Exemplified protocol to advance pharmaceutical education in medicinal chemistry

IH Gani, Z Al-Obaidi - Pharmacy Education, 2022 - pharmacyeducation.fip.org
… In this study, a molecular docking process was … the docking process. Five different
compounds were designed and docked by employing the Genetic Optimisation of Ligand Docking (…

… docking, MD simulation and MMGBSA calculations approaches to recognize concealed pharmacophoric features requisite for the optimization of ALK tyrosine kinase …

RD Jawarkar, P Sharma, N Jain, A Gandhi, N Mukerjee… - Molecules, 2022 - mdpi.com
… Based on the activity profile, we have carried out molecular docking analysis of the compounds
172 and 178 only. The docking analysis of compound 172 into the ALK tyrosine kinase

Synthesis, anticancer screening of some novel trimethoxy quinazolines and VEGFR2, EGFR tyrosine kinase inhibitors assay; molecular docking studies

AS Altamimi, AS El-Azab, SG Abdelhamid, MA Alamri… - Molecules, 2021 - mdpi.com
tyrosine kinases, a molecular docking analysis was performed using docetaxel and co-crystalized
ligands as references. The docking … ; compound 1 had a docking energy score of −7.4 …