[HTML][HTML] Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking …
The RAS gene family is one of the most frequently mutated oncogenes in human cancers. In
KRAS, mutations of G12D and G12C are common. Here, 52 iridoids were selected and …
KRAS, mutations of G12D and G12C are common. Here, 52 iridoids were selected and …
[HTML][HTML] Identification of new KRAS G12D inhibitors through computer-aided drug discovery methods
Owing to several mutations, the oncogene Kirsten rat sarcoma 2 viral oncogene homolog
(KRAS) is activated in the majority of cancers, and targeting it has been pharmacologically …
(KRAS) is activated in the majority of cancers, and targeting it has been pharmacologically …
Computational investigation to identify potent inhibitors of the GTPase-Kirsten RAt sarcoma virus (K-Ras) mutants G12C and G12D
K-Ras mutations are frequent in various cancer types, and according to recent research, K-
Ras possesses four-drug targeting sites. This increased our interest in finding potential small …
Ras possesses four-drug targeting sites. This increased our interest in finding potential small …
Identification of potential inhibitors, conformational dynamics, and mechanistic insights into mutant Kirsten rat sarcoma virus (G13D) driven cancers
The mutations at the hotspot region of K‐Ras result in the progression of cancer types. Our
study aimed to explore the small molecule inhibitors against the G13D mutant K‐Ras model …
study aimed to explore the small molecule inhibitors against the G13D mutant K‐Ras model …
[HTML][HTML] In Silico Study of the Acquired Resistance Caused by the Secondary Mutations of KRAS G12C Protein Using Long Time Molecular Dynamics Simulation and …
Kirsten rat sarcoma viral oncogene homolog (KRAS) is a small GTPase protein which plays
an important role in the treatment of KRAS mutant cancers. The FDA-approved AMG510 and …
an important role in the treatment of KRAS mutant cancers. The FDA-approved AMG510 and …
[HTML][HTML] Drug repurposing against KRAS mutant G12C: a machine learning, molecular docking, and molecular dynamics study
T Srisongkram, N Weerapreeyakul - International Journal of Molecular …, 2022 - mdpi.com
The Kirsten rat sarcoma viral G12C (KRASG12C) protein is one of the most common
mutations in non-small-cell lung cancer (NSCLC). KRASG12C inhibitors are promising for …
mutations in non-small-cell lung cancer (NSCLC). KRASG12C inhibitors are promising for …
Quantitative structure–activity relationships analysis, homology modeling, docking and molecular dynamics studies of triterpenoid saponins as Kirsten rat sarcoma …
Abstract Oncogenic Kirsten RAt Sarcoma (KRAS) mutations are attractive targets in non-
small-cell lung cancer (NSCLC). Thus, the objective of this work is to discover promising …
small-cell lung cancer (NSCLC). Thus, the objective of this work is to discover promising …
[HTML][HTML] The discovery of some promising putative binders of KRAS G12D receptor using computer-aided drug discovery approach
AQK Oyedele, NA Owolabi, TT Odunitan… - Informatics in Medicine …, 2023 - Elsevier
A prospective target for the therapy of solid tumors is KRAS G12D, the most prevalent
oncogenic KRAS mutation. However, despite decades of research that focused on the …
oncogenic KRAS mutation. However, despite decades of research that focused on the …
Identification of novel peptide inhibitors for oncogenic KRAS G12D as therapeutic options using mutagenesis-based remodeling and MD simulations
The Kirsten rat sarcoma 2 viral oncogene homolog (KRAS) serves as a molecular switch,
cycling between guanosine triphosphate (GTP)-bound and inactive guanosine diphosphate …
cycling between guanosine triphosphate (GTP)-bound and inactive guanosine diphosphate …
[PDF][PDF] In silico studies on the molecular geometry, FMO, mulliken charges, MESP, ADME and molecular docking prediction of pyrogallol carboxaldehydes as potential …
AR Kumara, CS Selvib, S Selvarajc, GPS Mold… - Phys. Chem …, 2024 - physchemres.org
In this study, quantum-chemical computational calculations were performed to evaluate the
electronic structures of pyrogallol carboxaldehydes, specifically the pyrogallol-4 …
electronic structures of pyrogallol carboxaldehydes, specifically the pyrogallol-4 …