A5073576154- Computational Drug Discovery Methods
- Synthesis and biological activity
- Cancer therapeutics and mechanisms
- Synthesis and Characterization of Heterocyclic Compounds
- Click Chemistry and Applications
- Melanoma and MAPK Pathways
- Cholinesterase and Neurodegenerative Diseases
- Bioactive Compounds and Antitumor Agents
- Quinazolinone synthesis and applications
- Diverse Scientific Research Studies
Sidi Mohamed Ben Abdellah University
2022-2024
Breast cancer is the most frequent form of malignant tumor in women, and represents a major public health problem due to its high mortality rate. Although multitude therapeutic options exist for control this disease, emergence resistance current pharmaceutical treatments underscores urgency developing new anti- breast drugs, with focus on reducing adverse effects associated agents. The present study concerns series (23) compounds based 1,4-quinone quinoline derivatives design candidate drugs...
Cervical cancer is a major health problem of women. Hormone therapy, via aromatase inhibition, has been proposed as promising way blocking estrogen production well treating the progression estrogen-dependent cancer. To overcome challenging complexities costly drug design, in-silico strategy, integrating Structure-Based Drug Design (SBDD) and Ligand-Based (LBDD), was applied to large representative databases 39 quinazoline thioquinazolinone compound derivatives. Quantum chemical...
Breast cancer has been one of the most challenging women's cancers and leading cause mortality for decades. There are several studies being conducted all time to find a cure breast cancer. Quinoline derivatives have shown their potential as antitumor agents in therapy. In this work, three-dimensional quantitative structure-activity relationships (3D-QSAR) molecular docking with aromatase enzyme (Protein Data Bank: 3S7S) were performed suggest current scenario quinoline refine path these...
The p38 mitogen-activated protein kinase (MAPK) is a crucial target for chronic inflammation.
Abstract With the aim of researching new antimalarial drugs, a series quinoline, isoquinoline and quinazoline derivatives were studied against Plasmodium falciparum CQ-sensitive MQ-resistant strain 3D7 protozoan parasite. DFT with B3LYP functional 6-311G basis set was used to calculate quantum chemical descriptors for QSAR models. The molecular mechanics (MM2) method constitutional, physicochemical, topological descriptors. By randomly dividing dataset into training test sets, we able...