Recent Advances in The Discovery of N‐Myristoyltransferase Inhibitors
C Zhao, S Ma - ChemMedChem, 2014 - Wiley Online Library
N‐Myristoyltransferase (NMT) is a cytosolic monomeric enzyme present in eukaryotes such
as fungi and protozoa, but is not found in prokaryotes. The attachment of a 14‐carbon …
as fungi and protozoa, but is not found in prokaryotes. The attachment of a 14‐carbon …
Pharmacophore Modeling of Targets Infested with Activity Cliffs via Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore …
A Abudayah, S Daoud, MA Al‐Sha'er… - Molecular …, 2022 - Wiley Online Library
Activity cliffs (ACs) are defined as pairs of structurally similar compounds with large
difference in their potencies against certain biotarget. We recently proposed that potent AC …
difference in their potencies against certain biotarget. We recently proposed that potent AC …
Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors
Inhibition of the enzyme acetylcholinesterase (AChE) has been shown to alleviate
neurodegenerative diseases prompting several attempts to discover and optimize new …
neurodegenerative diseases prompting several attempts to discover and optimize new …
Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point …
Ligand-based pharmacophore modeling require relatively long lists of active compounds,
while a pharmacophore based on a single ligand-receptor crystallographic structure is often …
while a pharmacophore based on a single ligand-receptor crystallographic structure is often …
Pharmacophore modeling of JAK1: a target infested with activity-cliffs
Abstract Janus kinase 1 (JAK1) is protein kinase involved in autoimmune diseases (AIDs).
JAK1 inhibitors have shown promising results in treating AIDs. JAK1 inhibitors are known to …
JAK1 inhibitors have shown promising results in treating AIDs. JAK1 inhibitors are known to …
Simulated annealing molecular dynamics and ligand–receptor contacts analysis for pharmacophore modeling
Aim: Ligand-based pharmacophore modeling requires long list of inhibitors, while
pharmacophores based on single ligand–receptor crystallographic structure can be too …
pharmacophores based on single ligand–receptor crystallographic structure can be too …
Identification of novel inhibitors for Pim-1 kinase using pharmacophore modeling based on a novel method for selecting pharmacophore generation subsets
Targeting Proviral integration-site of murine Moloney leukemia virus 1 kinase, hereafter
called Pim-1 kinase, is a promising strategy for treating different kinds of human cancer …
called Pim-1 kinase, is a promising strategy for treating different kinds of human cancer …
Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods
RF Abutayeh, MO Taha - Journal of Molecular Graphics and Modelling, 2019 - Elsevier
Flt3 is an oncogenic kinase involved in different types of leukemia. It is most prominently
associated with acute myeloid leukemia (AML). Flt3-specific inhibitors have shown …
associated with acute myeloid leukemia (AML). Flt3-specific inhibitors have shown …
Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors
The P-glycoprotein (P-gp) efflux pump has an important role as a natural detoxification
system in many types of normal and cancer cells. P-gp is implicated in multiple drug …
system in many types of normal and cancer cells. P-gp is implicated in multiple drug …
Multisubstituted benzo [b] furans through a copper-and/or palladium-catalyzed assembly and functionalization process
A Arcadi, F Blesi, S Cacchi, G Fabrizi, A Goggiamani… - Tetrahedron, 2013 - Elsevier
Full details as well as the study of the scope, limitations, and further elaboration of a
straightforward approach to the synthesis of 2, 5, 7-trisubstituted benzo [b] furans from 2 …
straightforward approach to the synthesis of 2, 5, 7-trisubstituted benzo [b] furans from 2 …