[HTML][HTML] Therapeutic applications of mushrooms and their biomolecules along with a glimpse of in silico approach in neurodegenerative diseases
Neurodegenerative diseases (NDs) represent a common neurological pathology that
determines a progressive deterioration of the brain or the nervous system. For treating NDs …
determines a progressive deterioration of the brain or the nervous system. For treating NDs …
In silico studies in drug research against neurodegenerative diseases
FR Makhouri, JB Ghasemi - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
Application of multivariate adaptive regression splines (MARSplines) Methodology for screening of dicarboxylic acid cocrystal using 1D and 2D molecular descriptors
M Przybyłek, T Jeliński, J Słabuszewska… - Crystal Growth & …, 2019 - ACS Publications
Dicarboxylic acids (DiAs) are probably among of the most popular cocrystal formers. Due to
the high hydrophilicity and nontoxicity, they are promising solubilizers of active …
the high hydrophilicity and nontoxicity, they are promising solubilizers of active …
In silico screening of the DrugBank database to search for possible drugs against SARS-CoV-2
Coronavirus desease 2019 (COVID-19) is responsible for more than 1.80 M deaths
worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed …
worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed …
Searching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches
Abstract Primary hyperoxaluria type 1 (PHT1) treatment is mainly focused on inhibiting the
enzyme glycolate oxidase, which plays a pivotal role in the production of glyoxylate, which …
enzyme glycolate oxidase, which plays a pivotal role in the production of glyoxylate, which …
[HTML][HTML] Molecular docking and QSAR study of 2-benzoxazolinone, quinazoline and diazocoumarin derivatives as anti-HIV-1 agents
K Faghihi, M Safakish, T Zebardast… - Iranian Journal of …, 2019 - ncbi.nlm.nih.gov
A series of 2-benzoxazolinone, diazocoumarin and quinazoline derivatives have been
shown to inhibit HIV replication in cell culture. To understand the pharmacophore properties …
shown to inhibit HIV replication in cell culture. To understand the pharmacophore properties …
Docking-based 3D-QSAR (CoMFA, CoMFA-RG, CoMSIA) study on hydroquinoline and thiazinan-4-one derivatives as selective COX-2 inhibitors
A Dowlati Beirami, Z Hajimahdi… - Journal of Biomolecular …, 2019 - Taylor & Francis
A series of 26 selective COX-2 inhibitors which reported previously by our laboratory was
selected to generate three-dimensional quantitative structure activity relationship (3D …
selected to generate three-dimensional quantitative structure activity relationship (3D …
[HTML][HTML] Design, Structure–Activity Relationships, and Computational Modeling Studies of a Series of α-Helix Biased, Ultra-Short Glucagon-like Peptide-1 Receptor …
JR Sawyer, JA Audie, J Swanson, D Diller, S Santiago… - Molecules, 2024 - mdpi.com
A systematic structure–activity and computational modeling analysis of a series of glucagon-
like peptide-1 receptor (GLP-1R) agonists based upon an ultra-short GLP-1 peptide, H-His …
like peptide-1 receptor (GLP-1R) agonists based upon an ultra-short GLP-1 peptide, H-His …
QSPR modeling to predict surface tension of psychoanaleptic drugs using the hybrid DA-SVR algorithm
Abstract A robust Quantitative Structure-Property Relationship (QSPR) model was presented
to predict the surface tension property of psychoanaleptic (psychostimulant and …
to predict the surface tension property of psychoanaleptic (psychostimulant and …
[HTML][HTML] Trehalose activates autophagy and prevents hydrogen peroxide-induced apoptosis in the bone marrow stromal cells
S Darabi, A Noori-Zadeh, HA Abbaszadeh… - Iranian journal of …, 2018 - ncbi.nlm.nih.gov
Bone marrow stromal stem cells (BMSCs) play a significant role in cell therapy. These cells
quickly die after transplantation to the affected area due to oxidative stress. The natural …
quickly die after transplantation to the affected area due to oxidative stress. The natural …