Cargando…

Fragment-based Binding Efficiency Indices in Bioactive Molecular Design: A Computational Approach to BACE-1 Inhibitors

One of the most important targets in Alzheimer disease is Beta site amyloid precursor protein cleaving enzyme-1 (BACE-1). It is a membrane associated protein and is one of the main enzymes responsible for amyloid β (Aβ) production. Up to now, a considerable number of peptidic and non-peptidic inhibi...

Descripción completa

Detalles Bibliográficos
Autores principales:	Razzaghi-Asl, Nima, Ebadi, Ahmad, Edraki, Najmeh, Shahabipour, Sara, Miri, Ramin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Shaheed Beheshti University of Medical Sciences 2013
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3813291/ https://www.ncbi.nlm.nih.gov/pubmed/24250649

Ejemplares similares

Ab-initio and Conformational Analysis of a Potent VEGFR-2 Inhibitor: A Case Study on Motesanib
por: Ebadi, Ahmad, et al.
Publicado: (2014)

Effect of Biomolecular Conformation on Docking Simulation: A Case Study on a Potent HIV-1 Protease Inhibitor
por: Razzaghi-Asl, Nima, et al.
Publicado: (2015)

Comparative amino acid decomposition analysis of potent type I p38α inhibitors
por: Ebadi, Ahmad, et al.
Publicado: (2013)

Molecular Modeling of Indeno [1, 2-b] Quinoline-9, 11-Diones as Cytotoxic Agents
por: Miri, Ramin, et al.
Publicado: (2018)

Assessment of the Cytotoxic Effect of a Series of 1,4-Dihydropyridine Derivatives Against Human Cancer Cells
por: Razzaghi-Asl, Nima, et al.
Publicado: (2016)

Synthesis, biological evaluation and molecular docking analysis of vaniline–benzylidenehydrazine hybrids as potent tyrosinase inhibitors
por: Iraji, Aida, et al.
Publicado: (2020)

Response Surface Study on Molecular Docking Simulations of Citalopram and Donepezil as Potent CNS Drugs
por: Alikhani, Radin, et al.
Publicado: (2021)

Design, synthesis, cytotoxicity evaluation and docking studies of 1,2,4-triazine derivatives bearing different arylidene-hydrazinyl moieties as potential mTOR inhibitors
por: Ranjbar, Sara, et al.
Publicado: (2018)

Novel 9-(alkylthio)-Acenaphtho[1,2-e]-1,2,4-triazine derivatives: synthesis, cytotoxic activity and molecular docking studies on B-cell lymphoma 2 (Bcl-2)
por: Mohammadi, Mohammad K, et al.
Publicado: (2014)

Comparative QSAR Analysis of 3,5-bis (Arylidene)-4-Piperidone Derivatives: the Development of Predictive Cytotoxicity Models
por: Edraki, Najmeh, et al.
Publicado: (2016)

In Silico Screening of IL-1β Production Inhibitors Using Chemometric Tools
por: Sakhteman, Amirhossein, et al.
Publicado: (2017)

Searching for new cytotoxic agents based on chromen-4-one and chromane-2,4-dione scaffolds
por: Gaspar, Alexandra, et al.
Publicado: (2019)

Design and Synthesis of Novel 1-hydroxy-2,4,5-triaryl Imidazole Derivatives as Anti-cytokine Agents
por: Haghighijoo, Zahra, et al.
Publicado: (2020)

Cinnamomum verum J. Presl. Bark essential oil: in vitro investigation of anti-cholinesterase, anti-BACE1, and neuroprotective activity
por: Saeedi, Mina, et al.
Publicado: (2022)

Correction: Cinnamomum verum J. Presl. Bark essential oil: in vitro investigation of anti-cholinesterase, anti-BACE1, and neuroprotective activity
por: Saeedi, Mina, et al.
Publicado: (2022)

Oxidative Aromatization, Cytotoxic Activity Evaluation and Conformational Study of Novel 7-aryl-10, 11-dihydro-7H-chromeno [4, 3-b]quinoline-6, 8(9H, 12H)-dione Derivatives.
por: Motamedi, Radineh, et al.
Publicado: (2014)

Novel 5-oxo-hexahydroquinoline derivatives: design, synthesis, in vitro P-glycoprotein-mediated multidrug resistance reversal profile and molecular dynamics simulation study
por: Shahraki, Omolbanin, et al.
Publicado: (2017)

Novel Cytotoxic Phenanthro-triazine-3-thiol Derivatives as Potential DNA Intercalators and Bcl-2 Inhibitors
por: Khoshneviszadeh, Mehdi, et al.
Publicado: (2021)

Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)
por: Liu, Shu, et al.
Publicado: (2012)

Phenanthrotriazine Derivatives Containing Arylidine Hydrazone Moieties as Novel Potential c-Met Inhibitors with Anticancer Effect
por: Edraki, Najmeh, et al.
Publicado: (2021)

Is It the Twilight of BACE1 Inhibitors?
por: Hrabinova, Martina, et al.
Publicado: (2021)

Synthesis and cytotoxic effect of a few N-heteroaryl enamino amides and dihydropyrimidinethiones on AGS and MCF-7 human cancer cell lines
por: Tavangar, Sajjad, et al.
Publicado: (2020)

The BACE1-generated C-terminal fragment of the neural cell adhesion molecule 2 (NCAM2) promotes BACE1 targeting to Rab11-positive endosomes
por: Keable, Ryan, et al.
Publicado: (2022)

Application of Computational Methods for the Design of BACE-1 Inhibitors: Validation of in Silico Modelling
por: Bajda, Marek, et al.
Publicado: (2014)

Synthesis and antileishmanial effect of a few cyclic and non-cyclic n-aryl enamino amide derivatives
por: Mohammadi-ghalehbin, Behnam, et al.
Publicado: (2020)

Developing BACE-1 inhibitors for FXS
por: Westmark, Cara J., et al.
Publicado: (2013)

In silico screening and molecular dynamics simulations toward new human papillomavirus 16 type inhibitors
por: Razzaghi-Asl, Nima, et al.
Publicado: (2022)

Discovery of Sulforaphane as a Potent BACE1 Inhibitor Based on Kinetics and Computational Studies
por: Youn, Kumju, et al.
Publicado: (2020)

Bioinformatic analysis of highly consumed phytochemicals as P-gp binders to overcome drug-resistance
por: Rajaei, Narges, et al.
Publicado: (2023)

Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria
por: Kim, M. Olivia, et al.
Publicado: (2015)

A tale of two drug targets: the evolutionary history of BACE1 and BACE2
por: Southan, Christopher, et al.
Publicado: (2013)

Development and Structural Modification of BACE1 Inhibitors
por: Gu, Ting, et al.
Publicado: (2016)

Sorting nexin 12 interacts with BACE1 and regulates BACE1-mediated APP processing
por: Zhao, Yonghao, et al.
Publicado: (2012)

RCAN1 Inhibits BACE2 Turnover by Attenuating Proteasome-Mediated BACE2 Degradation
por: Qiu, Kaixin, et al.
Publicado: (2020)

The effect of BACE1-AS on β-amyloid generation by regulating BACE1 mRNA expression
por: Li, Fan, et al.
Publicado: (2019)

Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease
por: Bao, Le-Quang, et al.
Publicado: (2023)

Synthesis, cytotoxic assessment, and molecular docking studies of 2,6-diaryl-substituted pyridine and 3,4- dihydropyrimidine-2(1H)-one scaffolds
por: HOSSEINZADEH, Zahra, et al.
Publicado: (2020)

Synthesis and cytotoxicity evaluation of novel cyclic/non-cyclic N-aryl enamino amides against human cancer cell lines
por: Bohlooli, Shahab, et al.
Publicado: (2020)

BACE1 Dynamics Upon Inhibition with a BACE Inhibitor and Correlation to Downstream Alzheimer’s Disease Markers in Elderly Healthy Participants
por: Timmers, Maarten, et al.
Publicado: (2017)

Highlights in BACE1 Inhibitors for Alzheimer's Disease Treatment
por: Coimbra, Judite R. M., et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_f199hiae1ulqnic3g91fqgt96n