Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and …

O Daoui, SN Mali, K Elkhattabi, S Elkhattabi, S Chtita - Heliyon, 2023 - cell.com
This study examines the potential of Cannabis sativa L. plants to be repurposed as
therapeutic agents for cancer treatment through designing of hybrid Epidermal growth factor …

Identification of potent EGFR-TKD inhibitors from NPACT database through combined computational approaches

SA Mir, A Muhammad, A Padhiary… - Journal of …, 2023 - Taylor & Francis
Cancer is the world's second leading cause of death, and there are no approved herbal
therapies. The epidermal growth factor receptor tyrosine kinase (EGFR-TK) receptor is a …

In silico investigation of cannabinoids from Cannabis sativa leaves as a potential anticancer drug to inhibit MAPK-ERK signaling pathway and EMT induction

S Iqbal, M Matsabisa - In Silico Pharmacology, 2024 - Springer
Genes related to MAPK-ERK signaling pathways, and epithelial-mesenchymal transition
induction is evolutionarily conserved and has crucial roles in the regulation of important …

Exploring EGFR inhibitors with the aid of virtual screening, docking, and dynamics simulation studies

Z Rehman, A Najmi - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Abstract In humans, Epidermal Growth Factor Receptor (EGFR) is linked to small-cell lung
cancer, breast cancer, and glioblastoma. Receptor kinase inhibitors against EGFR have …

Identification of EGFR inhibitors as potential agents for cancer therapy: pharmacophore-based modeling, molecular docking, and molecular dynamics investigations

MA Ashiru, SO Ogunyemi, OR Temionu… - Journal of Molecular …, 2023 - Springer
Context As a member of a large family of proteins that together regulate various aspects of
cell growth and development, the epidermal growth factor receptor (EGFR) is a validated …

QSAR modeling, pharmacophore-based virtual screening, and ensemble docking insights into predicting potential epigallocatechin gallate (EGCG) analogs against …

UD Bommu, KK Konidala, N Pabbaraju… - Journal of Receptors …, 2019 - Taylor & Francis
Epigallocatechin gallate (EGCG) is a major polyphenols of green tea may have the
possibility to inhibit epidermal growth factor receptor (EGFR) activity and lead to reduce non …

Molecular Modeling Targeting the ACE2 Receptor with Cannabis sativa's Active Ingredients for Antiviral Drug Discovery against SARS-CoV-2 Infections

Z El Ouafi, W Rhalem, N Habib… - … and Biology Insights, 2022 - journals.sagepub.com
The emergence of a novel coronavirus that later on rendered a global pandemic, caused
desperation within the communities and drove increased interest in exploring medicinal …

Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA

VK Sharma, PP Nandekar, A Sangamwar… - RSC …, 2016 - pubs.rsc.org
Epidermal growth factor receptor (EGFR) is an important validated drug target for cancer
therapy. Some therapeutic agents targeting EGFR have been developed, however these are …

Computational biology and in vitro studies for anticipating cancer-related molecular targets of sweet wormwood (Artemisia annua)

H Dawood, I Celik, RS Ibrahim - BMC Complementary Medicine and …, 2023 - Springer
Background Cancer is one of the leading causes of death worldwide. Recently, it was shown
that many natural extracts have positive effects against cancer, compared with …

In silico identification of potent small molecule inhibitors targeting epidermal growth factor receptor 1

Z Shi, J Chen, X Guo, L Cheng, X Guo… - Journal of Cancer …, 2018 - journals.lww.com
Background: The receptor tyrosine kinase of the epidermal growth factor receptor (EGFR,
ErbB) family played an important role in multisignaling pathways, which controlled …