QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα
Due to the high mortality rate in India, the identification of novel molecules is important in the
development of novel and potent anticancer drugs. Xanthones are natural constituents of …
development of novel and potent anticancer drugs. Xanthones are natural constituents of …
In silico molecular docking analysis of natural pyridoacridines as anticancer agents
Docking studies are proved to be an essential tool that facilitates the structural diversity of
natural products to be harnessed in an organized manner. In this study, pyridoacridines …
natural products to be harnessed in an organized manner. In this study, pyridoacridines …
In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential …
With an alarming increase in the number of cancer patients and a variety of tumors, it is high
time for intensive investigation on more efficient and potent anti-tumor agents. Though …
time for intensive investigation on more efficient and potent anti-tumor agents. Though …
[HTML][HTML] Biological evaluation, DFT, MEP, HOMO-LUMO analysis and ensemble docking studies of Zn (II) complexes of bidentate and tetradentate Schiff base ligands …
Two Schiff base ligands and some related bidentate and tetradentate Zn (II) complexes were
investigated for their biological activity profiles as anticancer agents by resazurin method …
investigated for their biological activity profiles as anticancer agents by resazurin method …
Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi …
J Haribabu, V Garisetti, RE Malekshah… - Journal of molecular …, 2022 - Elsevier
Abstract Two heterocyclic azole compounds, 3-(2, 3-dihydrobenzo [d] thiazol-2-yl)-4H-
chromen-4-one (SVS1) and 5-(1H-indol-3-yl)-4-methyl-2, 4-dihydro-3H-1, 2, 4-triazole-3 …
chromen-4-one (SVS1) and 5-(1H-indol-3-yl)-4-methyl-2, 4-dihydro-3H-1, 2, 4-triazole-3 …
Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations
RAM Neto, CBR Santos, SVC Henriques… - Journal of …, 2022 - Taylor & Francis
Glioblastoma is an aggressive primary tumor of the central nervous system (CNS). Is the
most aggressive among infiltrative gliomas arising from the CNS. This tumor has low patient …
most aggressive among infiltrative gliomas arising from the CNS. This tumor has low patient …
Biomedical applications of aromatic azo compounds
Azo dyes are widely used in textile, fiber, cosmetic, leather, paint and printing industries.
Besides their characteristic coloring function, azo compounds are reported as antibacterial …
Besides their characteristic coloring function, azo compounds are reported as antibacterial …
2-(2-(2, 4-dioxopentan-3-ylidene) hydrazineyl) benzonitrile as novel inhibitor of receptor tyrosine kinase and PI3K/AKT/mTOR signaling pathway in glioblastoma
A Viswanathan, D Kute, A Musa, SK Mani… - European journal of …, 2019 - Elsevier
Nerve growth factor receptor (NGFR), a member of kinase protein, is emerging as an
important target for Glioblastoma (GBM) treatment. Overexpression of NGFR is observed in …
important target for Glioblastoma (GBM) treatment. Overexpression of NGFR is observed in …
Fluorescent azomethine by the condensation of sulfadiazine and 4-chlorobenzaldehyde in solution: synthesis, characterization, solvent interactions, electronic …
N Elangovan, S Sowrirajan, AYA Alzahrani… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The Schiff base was synthesized and characterized with Infrared, Raman, UV, fluorescence,
and NMR studies. The present work is theoretically investigated using DFT/WB97XD/cc …
and NMR studies. The present work is theoretically investigated using DFT/WB97XD/cc …
Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1, 3, 4-oxadiazole linked benzimidazoles as anticancer agents and …
Breast cancer is the most frequent female cancer and second cause of cancer-related
deaths among women around the world. Two thirds of breast cancer patients have hormone …
deaths among women around the world. Two thirds of breast cancer patients have hormone …