[HTML][HTML] Exploring the computational methods for protein-ligand binding site prediction
J Zhao, Y Cao, L Zhang - Computational and structural biotechnology …, 2020 - Elsevier
Proteins participate in various essential processes in vivo via interactions with other
molecules. Identifying the residues participating in these interactions not only provides …
molecules. Identifying the residues participating in these interactions not only provides …
Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view
S Lu, H Jang, S Gu, J Zhang, R Nussinov - Chemical Society Reviews, 2016 - pubs.rsc.org
Ras proteins are small GTPases, cycling between inactive GDP-bound and active GTP-
bound states. Through these switches they regulate signaling that controls cell growth and …
bound states. Through these switches they regulate signaling that controls cell growth and …
Targeting the small GTPase superfamily through their regulatory proteins
The Ras superfamily of small GTPases are guanine‐nucleotide‐dependent switches
essential for numerous cellular processes. Mutations or dysregulation of these proteins are …
essential for numerous cellular processes. Mutations or dysregulation of these proteins are …
Discovery of high-affinity noncovalent allosteric KRAS inhibitors that disrupt effector binding
Approximately 15% of all human tumors harbor mutant KRAS, a membrane-associated
small GTPase and notorious oncogene. Mutations that render KRAS constitutively active will …
small GTPase and notorious oncogene. Mutations that render KRAS constitutively active will …
A phase II study of azacitidine, venetoclax, and trametinib in relapsed or refractory acute myeloid leukemia harboring RAS pathway-activating mutations
SP Desikan, F Ravandi, N Pemmaraju… - Acta …, 2022 - karger.com
Introduction: RAS pathway mutations are common mechanisms of resistance to acute
myeloid leukemia (AML) therapies. Trametinib, an oral MEK inhibitor, has been shown to …
myeloid leukemia (AML) therapies. Trametinib, an oral MEK inhibitor, has been shown to …
Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface
J Liang, C Karagiannis, E Pitsillou… - … biology and chemistry, 2020 - Elsevier
The SARS-CoV-2 virus is causing COVID-19 resulting in an ongoing pandemic with serious
health, social, and economic implications. Much research is focused in repurposing or …
health, social, and economic implications. Much research is focused in repurposing or …
K-Ras and its inhibitors towards personalized cancer treatment: Pharmacological and structural perspectives
The discovery of genetic, genomic and clinical biomarkers have revolutionized the treatment
option in the form of personalized medicine which allows to accurately predict a person's …
option in the form of personalized medicine which allows to accurately predict a person's …
Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations
As the hub of major signaling pathways, Ras proteins are implicated in 19% of tumor-caused
cancers due to perturbations in their conformational and/or catalytic properties. Despite …
cancers due to perturbations in their conformational and/or catalytic properties. Despite …
Approaches to inhibiting oncogenic K-Ras
AA Gorfe, KJ Cho - Small GTPases, 2021 - Taylor & Francis
Activating somatic K-Ras mutations are associated with> 15% all human tumors and up to
90% of specific tumor types such as pancreatic cancer. Successfully inhibiting abnormal K …
90% of specific tumor types such as pancreatic cancer. Successfully inhibiting abnormal K …
Exploring a new ligand binding site of G protein-coupled receptors
Identifying a target ligand binding site is an important step for structure-based rational drug
design as shown here for G protein-coupled receptors (GPCRs), which are among the most …
design as shown here for G protein-coupled receptors (GPCRs), which are among the most …