In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs
Rational drug design implies usage of molecular modeling techniques such as
pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to …
pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to …
Pyrrole‐based EGFR inhibitors for the treatment of NCSLC: Binding modes and SARs investigations
J He, L Luo, S Xu, F Yang, W Zhu - Chemical Biology & Drug …, 2023 - Wiley Online Library
The treatment of advanced non‐small cell lung cancer (NSCLC) has made substantial
progress due to the rapid development of small molecule targeted therapy, with dramatically …
progress due to the rapid development of small molecule targeted therapy, with dramatically …
Inhibition of oncogenic kinases: an in vitro validated computational approach identified potential multi-target anticancer compounds
Tumorigenesis in humans is a multistep progression that imitates genetic changes leading
to cell transformation and malignancy. Oncogenic kinases play a central role in cancer …
to cell transformation and malignancy. Oncogenic kinases play a central role in cancer …
[HTML][HTML] Identification of a selective G1-phase benzimidazolone inhibitor by a senescence-targeted virtual screen using artificial neural networks
AE Bilsland, A Pugliese, Y Liu, J Revie, S Burns… - Neoplasia, 2015 - Elsevier
Cellular senescence is a barrier to tumorigenesis in normal cells, and tumor cells undergo
senescence responses to genotoxic stimuli, which is a potential target phenotype for cancer …
senescence responses to genotoxic stimuli, which is a potential target phenotype for cancer …
Pharmacophore modeling, 3D-QSAR, and MD simulation-based overture for the discovery of new potential HDAC1 inhibitors
G Lanka, S Banerjee, S Regula… - Journal of …, 2024 - Taylor & Francis
Histone deacetylases (HDACs) are important epigenetic regulators that modulate the activity
of histone and non-histone proteins leading to various cancers. Histone deacetylase 1 …
of histone and non-histone proteins leading to various cancers. Histone deacetylase 1 …
Ligand-based pharmacophore screening strategy: A pragmatic approach for targeting HER proteins
N James, K Ramanathan - Applied biochemistry and biotechnology, 2018 - Springer
Targeting ErbB family of receptors is an important therapeutic option, because of its
essential role in the broad spectrum of human cancers, including non-small cell lung cancer …
essential role in the broad spectrum of human cancers, including non-small cell lung cancer …
Discovery of camptothecin based topoisomerase I inhibitors: Identification using an atom based 3D-QSAR, pharmacophore modeling, virtual screening and molecular …
S Dev, SR Dhaneshwar… - Combinatorial chemistry & …, 2016 - ingentaconnect.com
Background: Camptothecin is a quinoline alkaloid, isolated from the Chinese tree
Camptotheca acuminate which exhibits its cytotoxic activity by the inhibition of nuclear …
Camptotheca acuminate which exhibits its cytotoxic activity by the inhibition of nuclear …
Structure-based pharmacophore design and virtual screening for novel potential inhibitors of epidermal growth factor receptor as an approach to breast cancer …
Cancer cells are described with features of uncontrolled growth, invasion and metastasis.
The epidermal growth factor receptor subfamily of tyrosine kinases (EGFR-TK) plays a …
The epidermal growth factor receptor subfamily of tyrosine kinases (EGFR-TK) plays a …
[PDF][PDF] Identification of potential novel EGFR inhibitors using a combination of pharmacophore and docking methods
A Joshi, M Gadhwal, UJ Joshi - International Journal of Pharmacy …, 2015 - academia.edu
Objective: Identifying new inhibitors of Epidermal Growth Factor Receptor (EGFR) by virtual
screening using a pharmacophore model followed by docking. Methods: A pharmacophore …
screening using a pharmacophore model followed by docking. Methods: A pharmacophore …
A pragmatic pharmacophore informatics strategy to discover new potent inhibitors against pim-3
S Reddy Peddi, R Kundenapally, S Kanth Sivan… - Structural Chemistry, 2022 - Springer
Pim-3 (proviral integration site moloney murine leukemia virus-3) is an oncogene which
encodes proteins belonging to serine/threonine kinase family and PIM subfamily. It is …
encodes proteins belonging to serine/threonine kinase family and PIM subfamily. It is …