Virtual screening of naphthoquinone analogs for potent inhibitors against the cancer‐signaling PI3K/AKT/mTOR pathway

M Rehan, OS Bajouh - Journal of Cellular Biochemistry, 2019 - Wiley Online Library
Abstract The PI3K/AKT/mTOR pathway is one of the most commonly disrupted signaling
pathways that plays a role in the development and pathogenicity of multiple cancers …

Molecular dynamics simulations to investigate the binding mode of the natural product liphagal with phosphoinositide 3-Kinase α

Y Gao, Y Ma, G Yang, Y Li - Molecules, 2016 - mdpi.com
Phosphatidylinositol 3-kinase α (PI3Kα) is an attractive target for anticancer drug design.
Liphagal, isolated from the marine sponge Aka coralliphaga, possesses the special …

Discovery of targeted covalent natural products against PLK1 by herb-based screening

H Liang, H Liu, Y Kuang, L Chen, M Ye… - Journal of chemical …, 2020 - ACS Publications
Natural products (NPs) are a rich source of drug discovery, and some of them act by
covalently binding to the targets. Recently, targeted covalent natural product (TCNP) design …

Polo-like kinase 1 inhibition as a new therapeutic modality in therapy of cholangiocarcinoma

S Thrum, J Lorenz, J Mössner… - Anticancer research, 2011 - ar.iiarjournals.org
Background: Cholangiocarcinoma (CC) is highly resistant to chemotherapy and radiation,
and is, therefore, difficult to cure. Polo-like kinases (Plks) are increasingly recognized as key …

Combined pharmacophore modeling, docking, and 3D-QSAR studies of PLK1 inhibitors

S Lu, HC Liu, YD Chen, HL Yuan, SL Sun… - International journal of …, 2011 - mdpi.com
Polo-like kinase 1, an important enzyme with diverse biological actions in cell mitosis, is a
promising target for developing novel anticancer drugs. A combined molecular docking …

[PDF][PDF] 3D-QSAR, docking study, pharmacophore modeling and ADMET prediction of 2-amino-pyrazolopyridine derivatives as polo-like kinase 1 inhibitors

JN SANGSHETTI, FAK KHAN, YQ QAZI… - Int. J. Pharm …, 2014 - vlifesciences.com
Objective: The polo-like kinase 1 (plk1) plays important roles in the regulation of mitotic
progression, including mitotic entry, spindle formation, chromosome segregation and …

Synthesis and Characterization of Plumbagin S-Allyl Cysteine Ester: Determination of Anticancer Activity In Silico and In Vitro

S Vijayan, C Loganathan, P Sakayanathan… - Applied Biochemistry …, 2022 - Springer
In recent years, derivatives of natural compounds are synthesized to increase the
bioavailability, pharmacology, and pharmacokinetics properties. The naphthoquinone …

In-Silico Analysis of Phytocompounds of Olea europaea as Potential Anti-Cancer Agents to Target PKM2 Protein

FA Qais, SY Alomar, MA Imran, MA Hashmi - Molecules, 2022 - mdpi.com
Globally, cancer is the second leading cause of mortality and morbidity. The growth and
development of cancer are extremely complex. It is caused by a variety of pathways and …

[HTML][HTML] Theoretical studies on benzimidazole and imidazo [1, 2-a] pyridine derivatives as Polo-like kinase 1 (Plk1) inhibitors: Pharmacophore modeling, atom-based …

R Chekkara, N Kandakatla, VR Gorla… - Journal of Saudi …, 2017 - Elsevier
Molecular modeling studies were carried out on a series of benzimidazole and imidazo [1, 2-
a] pyridines as Plk1 inhibitors. Based on the pharmacophore model, we obtained a five …

BI6727 and GSK461364A, potent PLK1 inhibitors induce G2/M arrest and apoptosis against cholangiocarcinoma cell lines

H Riantana, O Waenphimai, P Mahalapbutr… - … -Research and Practice, 2023 - Elsevier
Abstract Polo-like kinase 1 (PLK1) is an essential mitotic checkpoint protein that plays a key
role in cell cycle division. Overexpression of PLK1 has been associated with poor prognosis …