Cargando…

Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2 Diabetes Mellitus Predicted by 3D QSAR Pharmacophore Models, Molecular Docking and De Novo Evolution

Dipeptidyl peptidase-IV (DPP-IV) rapidly breaks down the incretin hormones glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic peptide (GIP). Thus, the use of DPP-IV inhibitors to retard the degradation of endogenous GLP-1 is a possible mode of therapy correcting the defect in incre...

Descripción completa

Detalles Bibliográficos
Autores principales:	Musoev, Azizullo, Numonov, Sodik, You, Zhuhong, Gao, Hongwei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6720998/ https://www.ncbi.nlm.nih.gov/pubmed/31394858 http://dx.doi.org/10.3390/molecules24162870

Ejemplares similares

Discovery of Novel Coumarin Analogs against the α-Glucosidase Protein Target of Diabetes Mellitus: Pharmacophore-Based QSAR, Docking, and Molecular Dynamics Simulation Studies
por: Maurya, Akhilesh Kumar, et al.
Publicado: (2020)

Combined Pharmacophore Modeling, Docking, and 3D-QSAR Studies of PLK1 Inhibitors
por: Lu, Shuai, et al.
Publicado: (2011)

Substructural QSAR approaches and topological pharmacophores.
por: Franke, R, et al.
Publicado: (1985)

Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer
por: Ganji, Mahmoud, et al.
Publicado: (2023)

Pharmacophore and Molecular Docking Guided 3D-QSAR Study of Bacterial Enoyl-ACP Reductase (FabI) Inhibitors
por: Lu, Xiaoyun, et al.
Publicado: (2012)

Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints
por: Horvath, D
Publicado: (2008)

Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors
por: John, Shalini, et al.
Publicado: (2011)

Discovery of YopE Inhibitors by Pharmacophore-Based Virtual Screening and Docking
por: Ozbuyukkaya, Gizem, et al.
Publicado: (2013)

In silico Discovery of Novel FXa Inhibitors by Pharmacophore Modeling and Molecular Docking
por: Pu, Yinglan, et al.
Publicado: (2017)

Prediction of Novel Anoctamin1 (ANO1) Inhibitors Using 3D-QSAR Pharmacophore Modeling and Molecular Docking
por: Lee, Yoon Hyeok, et al.
Publicado: (2018)

Combined Pharmacophore Modeling, 3D-QSAR, Homology Modeling and Docking Studies on CYP11B1 Inhibitors
por: Yu, Rui, et al.
Publicado: (2015)

Chemical and Pharmacological Evaluation of Hulls of Prunus dulcis Nuts
por: Qureshi, Muhammad Nasimullah, et al.
Publicado: (2019)

Molecular Docking, Pharmacophore, and 3D-QSAR Approach: Can Adenine Derivatives Exhibit Significant Inhibitor Towards Ebola Virus?
por: Rai, Amit, et al.
Publicado: (2017)

Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors
por: Moussa, Nathalie, et al.
Publicado: (2021)

Multiple 3D-QSAR modeling, e-pharmacophore, molecular docking, and in vitro study to explore novel AChE inhibitors
por: Jana, Srabanti, et al.
Publicado: (2018)

Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation
por: Kumar, Sunil, et al.
Publicado: (2023)

Discovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking
por: Jafari, Fataneh, et al.
Publicado: (2018)

Development of HPLC Protocol and Simultaneous Quantification of Four Free Flavonoids from Dracocephalum heterophyllum Benth.
por: Numonov, Sodik Rakhmonovich, et al.
Publicado: (2015)

PharmDock: a pharmacophore-based docking program
por: Hu, Bingjie, et al.
Publicado: (2014)

Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors
por: Liu, Genyan, et al.
Publicado: (2018)

Identifying Novel ATX Inhibitors via Combinatory Virtual Screening Using Crystallography-Derived Pharmacophore Modelling, Docking Study, and QSAR Analysis
por: Ren, Ji-Xia, et al.
Publicado: (2020)

New Insights into the Binding Features of F508del CFTR Potentiators: A Molecular Docking, Pharmacophore Mapping and QSAR Analysis Approach
por: Righetti, Giada, et al.
Publicado: (2020)

3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity
por: Mirzaei, Salimeh, et al.
Publicado: (2021)

Correction: Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation
por: Kumar, Sunil, et al.
Publicado: (2023)

Pharmacophore-Based Similarity Scoring for DOCK
por: Jiang, Lingling, et al.
Publicado: (2014)

Search for the Pharmacophore of Histone Deacetylase Inhibitors Using Pharmacophore Query and Docking Study
por: Haji Agha Bozorgi, Atefeh, et al.
Publicado: (2014)

Ligand-based Pharmacophore Modeling; Atom-based 3D-QSAR Analysis and Molecular Docking Studies of Phosphoinositide-Dependent Kinase-1 Inhibitors
por: Kirubakaran, P., et al.
Publicado: (2012)

3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum
por: Kumari, Madhulata, et al.
Publicado: (2016)

An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors
por: Gentile, Davide, et al.
Publicado: (2020)

Corrigendum to “3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity”
por: Mirzaei, Salimeh, et al.
Publicado: (2022)

Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus
por: Kaushik, Pawan, et al.
Publicado: (2014)

Optimization of Extraction Process for Antidiabetic and Antioxidant Activities of Kursi Wufarikun Ziyabit Using Response Surface Methodology and Quantitative Analysis of Main Components
por: Edirs, Salamet, et al.
Publicado: (2017)

Inhibitory evaluation of Curculigo latifolia on α-glucosidase, DPP (IV) and in vitro studies in antidiabetic with molecular docking relevance to type 2 diabetes mellitus
por: Zabidi, Nur Athirah, et al.
Publicado: (2020)

Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors
por: Fei, Jia, et al.
Publicado: (2013)

QSAR and molecular docking for the search of AOX inhibitors: a rational drug discovery approach
por: Rosell-Hidalgo, Alicia, et al.
Publicado: (2020)

Evaluation of Novel Dual Acetyl- and Butyrylcholinesterase Inhibitors as Potential Anti-Alzheimer’s Disease Agents Using Pharmacophore, 3D-QSAR and Molecular Docking Approaches
por: Pang, Xiaocong, et al.
Publicado: (2017)

Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer’s Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches
por: Ojo, Oluwafemi Adeleke, et al.
Publicado: (2021)

In silico studies of diarylpyridine derivatives as novel HIV-1 NNRTIs using docking-based 3D-QSAR, molecular dynamics, and pharmacophore modeling approaches
por: Wan, Youlan, et al.
Publicado: (2018)

Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening
por: Kirstgen, Michael, et al.
Publicado: (2021)

Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors
por: Poola, Anushka A., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_74n6uomv867ti65f9njqcrh2ps