Comparison of new secondgeneration H1 receptor blockers with some molecules; a study involving DFT, molecular docking, ADMET, biological target and activity
Abstract Although the antiallergic properties of compounds such as CAPE, Melatonin, Curcumin, and Vitamin C have been poorly discussed by experimental studies, the antiallergic properties of these famous molecules have never been discussed with calculations. The histamine-1 receptor (H1R) belongs to...
Saved in:
| Main Authors: | Velid Unsal, Erkan Oner, Reşit Yıldız, Başak Doğru Mert |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-01-01
|
| Series: | BMC Chemistry |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13065-024-01371-4 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study
by: Velid Unsal, et al.
Published: (2025-01-01) -
In Silico study of PDE10A inhibitors for schizophrenia: molecular docking, ADMET and DFT analysis
by: Ashutosh Kharwar, et al.
Published: (2025-06-01) -
Exploration of novel azole-quinoline hybrids as LdNMT inhibitors using in-silico approach; molecular docking, DFT, molecular dynamics simulations, MMGBSA and ADMET
by: Firoj Hassan, et al.
Published: (2025-05-01) -
Structural Elucidation, DFT Calculations, Hirshfeld Surface Analysis, Molecular Dynamics Simulation, ADMET Profiles, and Molecular Docking of Two Benzazocine Derivatives NAOP-12 and NEMKH-12
by: Tanveer Hasan, et al.
Published: (2025-04-01) -
Novel agents inhibiting the Marburg nucleoprotein using molecular docking, ADMET, MD, and quantum DFT methods
by: Haiwang Djefoulna Victorien Hermann, et al.
Published: (2025-07-01)