Computational Studies of Novel Chymase Inhibitors Against Cardiovascular and Allergic Diseases: Mechanism and Inhibition
To provide a new idea for drug design, a computational investigation is performed on chymase and its novel 1,4-diazepane-2,5-diones inhibitors that explores the crucial molecular features contributing to binding specificity. Molecular docking studies of inhibitors within the active site of chymase w...
| Main Authors: | Arooj, Mahreen, Thangapandian, S., John, S., Hwang, S., Park, J., Lee, K. |
|---|---|
| Format: | Journal Article |
| Published: |
2012
|
| Online Access: | http://hdl.handle.net/20.500.11937/41921 |
Similar Items
3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors
by: Arooj, Mahreen, et al.
Published: (2011)
by: Arooj, Mahreen, et al.
Published: (2011)
Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design
by: Arooj, Mahreen, et al.
Published: (2013)
by: Arooj, Mahreen, et al.
Published: (2013)
Finding off-targets, biological pathways, and target diseases for chymase inhibitors via structure-based systems biology approach
by: Arooj, Mahreen, et al.
Published: (2015)
by: Arooj, Mahreen, et al.
Published: (2015)
A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors
by: Arooj, Mahreen, et al.
Published: (2013)
by: Arooj, Mahreen, et al.
Published: (2013)
Molecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor design
by: Thangapandian, S., et al.
Published: (2012)
by: Thangapandian, S., et al.
Published: (2012)
Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors.
by: John, S., et al.
Published: (2011)
by: John, S., et al.
Published: (2011)
Binding mode analyses and pharmacophore model development for stilbene derivatives as a novel and competitive class of α-glucosidase inhibitors
by: Lee, Y., et al.
Published: (2014)
by: Lee, Y., et al.
Published: (2014)
An Innovative Strategy for Dual Inhibitor Design and Its Application in Dual Inhibition of Human Thymidylate Synthase and Dihydrofolate Reductase Enzymes
by: Arooj, Mahreen, et al.
Published: (2013)
by: Arooj, Mahreen, et al.
Published: (2013)
Binding mode analysis of dual inhibitors of human thymidylate synthase and dihydrofolate reductase as antitumour agents via molecular docking and DFT studies
by: Arooj, Mahreen, et al.
Published: (2015)
by: Arooj, Mahreen, et al.
Published: (2015)
A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors
by: Cao, G., et al.
Published: (2015)
by: Cao, G., et al.
Published: (2015)
Helminths and allergic disease in Vietnam
by: Flohr, Carsten
Published: (2007)
by: Flohr, Carsten
Published: (2007)
Probiotic effects in allergic disease
by: Ismail, Intan Hakimah, et al.
Published: (2013)
by: Ismail, Intan Hakimah, et al.
Published: (2013)
Effects for charge transfer in Pd(II) complexes along various terminal ligands
by: Arooj, Mahreen, et al.
Published: (2010)
by: Arooj, Mahreen, et al.
Published: (2010)
Investigating novel cationic polymers for siRNA delivery for treatment of allergic disease
by: Almughem, Fahad
Published: (2018)
by: Almughem, Fahad
Published: (2018)
Cardiovascular Computed Tomography in the Diagnosis of Cardiovascular Disease: Beyond Lumen Assessment
by: Sun, Zhonghua, et al.
Published: (2024)
by: Sun, Zhonghua, et al.
Published: (2024)
Cardiovascular computed tomography in cardiovascular disease: An overview of its applications from diagnosis to prediction
by: Sun, Zhonghua
Published: (2024)
by: Sun, Zhonghua
Published: (2024)
Computed tomography angiography: clinical applications in cardiovascular disease
by: Sun, Zhonghua
Published: (2012)
by: Sun, Zhonghua
Published: (2012)
Interleukin-4 receptor alpha gene variants and allergic disease
by: Hall, Ian P.
Published: (2000)
by: Hall, Ian P.
Published: (2000)
Novel peptides that inhibit the propagation of Newcastle disease virus
by: Ramanujam, P., et al.
Published: (2002)
by: Ramanujam, P., et al.
Published: (2002)
Cardiovascular safety liabilities of VEGFR-2 inhibitors
by: Pannucci, Patrizia
Published: (2024)
by: Pannucci, Patrizia
Published: (2024)
Computer Aided Design of potential inhibitors for Gaucher disease
by: Noorbatcha, Ibrahim Ali, et al.
Published: (2010)
by: Noorbatcha, Ibrahim Ali, et al.
Published: (2010)
Computational site-directed mutagenesis studies of the role of the hydrophobic triad on substrate binding in cholesterol oxidase
by: Harb, L., et al.
Published: (2017)
by: Harb, L., et al.
Published: (2017)
Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations
by: Sakkiah, Sugunadevi, et al.
Published: (2013)
by: Sakkiah, Sugunadevi, et al.
Published: (2013)
Investigating Multispecies Biofilms on Steel Surfaces in Seawater and Biofilm Inhibition by a Novel, Multifunctional Inhibitor
by: Tuck, Benjamin
Published: (2022)
by: Tuck, Benjamin
Published: (2022)
Kinetic Hydrate Inhibition Performance of Poly(vinyl caprolactam) Modified with Corrosion Inhibitor Groups
by: Park, Joonhyeong, et al.
Published: (2017)
by: Park, Joonhyeong, et al.
Published: (2017)
Asthma and allergic disease: their relation with Necator americanus and other helminth infections
by: Feary, Johanna Ruth
Published: (2012)
by: Feary, Johanna Ruth
Published: (2012)
Niemann-pick C1-like 1 (NPC1L1) inhibition and cardiovascular diseases
by: Pirillo, A., et al.
Published: (2016)
by: Pirillo, A., et al.
Published: (2016)
Investigation of inhibition performance of kinetic hydrates inhibitors
by: Wang, Shuo
Published: (2012)
by: Wang, Shuo
Published: (2012)
Advancing machine learning for identifying cardiovascular disease via granular computing
by: Ku Muhammad Naim, Ku Khalif, et al.
Published: (2024)
by: Ku Muhammad Naim, Ku Khalif, et al.
Published: (2024)
Rehabilitation in cardiovascular disease
by: Jamaludin, Thandar Soe@Sumaiyah
Published: (2018)
by: Jamaludin, Thandar Soe@Sumaiyah
Published: (2018)
Epidemiology of cardiovascular disease
by: Reid, Christopher, et al.
Published: (2016)
by: Reid, Christopher, et al.
Published: (2016)
Prevention of Cardiovascular Disease
by: Owen, A., et al.
Published: (2012)
by: Owen, A., et al.
Published: (2012)
Characterization of Protein-Facilitated Ion-Transfer Mechanism at a Polarized Aqueous/Organic Interface
by: Arooj, Mahreen, et al.
Published: (2019)
by: Arooj, Mahreen, et al.
Published: (2019)
Novel selective β1-adrenoceptor antagonists for concomitant cardiovascular and respiratory disease
by: Baker, Jillian G., et al.
Published: (2017)
by: Baker, Jillian G., et al.
Published: (2017)
Genetic risk factors for the development of allergic disease identified by genome-wide association
by: Portelli, Michael A., et al.
Published: (2015)
by: Portelli, Michael A., et al.
Published: (2015)
Cord blood 25-hydroxyvitamin D3 and allergic disease during infancy
by: Jones, A., et al.
Published: (2012)
by: Jones, A., et al.
Published: (2012)
Ethnicity influences disease characteristics and symptom severity in allergic rhinitis patients in Malaysia
by: Amini, Peyman, et al.
Published: (2014)
by: Amini, Peyman, et al.
Published: (2014)
The potential use of honey as a remedy for allergic diseases: a mini review
by: Yong, Poi Yi Aw, et al.
Published: (2021)
by: Yong, Poi Yi Aw, et al.
Published: (2021)
C-Abl inhibition; a novel therapeutic target for Parkinson’s disease
by: Abushouk, Abdelrahman Ibrahim, et al.
Published: (2018)
by: Abushouk, Abdelrahman Ibrahim, et al.
Published: (2018)
Multislice computed tomography angiography in the diagnosis of cardiovascular disease: 3D visualisations
by: Sun, Zhonghua
Published: (2011)
by: Sun, Zhonghua
Published: (2011)
Similar Items
-
3D QSAR pharmacophore modeling, in silico screening, and density functional theory (DFT) approaches for identification of human chymase inhibitors
by: Arooj, Mahreen, et al.
Published: (2011) -
Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design
by: Arooj, Mahreen, et al.
Published: (2013) -
Finding off-targets, biological pathways, and target diseases for chymase inhibitors via structure-based systems biology approach
by: Arooj, Mahreen, et al.
Published: (2015) -
A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors
by: Arooj, Mahreen, et al.
Published: (2013) -
Molecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor design
by: Thangapandian, S., et al.
Published: (2012)