In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9420-5_26
Abstract: Transport proteins play a crucial role in drug distribution, disposition, and clearance by mediating cellular drug influx and efflux. Inhibition of these transporters may lead to drug-drug interactions or even drug-induced liver injury, such as… read more here.
Keywords: predict drug; approaches predict; drug; silico approaches ... See more keywords
In Silico Approaches for TRP Channel Modulation.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9446-5_12
Abstract: The implication of several TRP ion channels (e.g., TRPV1) in diverse physiological and pathological processes has signaled them as pivotal drug targets. Consequently, the identification of selective and potent ligands for these channels is of… read more here.
Keywords: channel modulation; trp channel; pharmacology; silico approaches ... See more keywords
Effects of low temperatures on the conformation of apo-lactoferrin and its interactions with α-lactalbumin and β-lactoglobulin: Application of in silico approaches
Sign Up to like & getrecommendations! Published in 2021 at "Food Hydrocolloids"
DOI: 10.1016/j.foodhyd.2021.107055
Abstract: Abstract Lactoferrin (LF) is a multi-functional protein that is primarily found in milk. The apo form of LF (apo-LF) is devoid of iron, and as a result, may serve as an iron scavenger with attendant… read more here.
Keywords: effects low; conformation apo; silico approaches; lactalbumin lactoglobulin ... See more keywords
Prediction and analysis of GH14 family β-amylases in oat seedling extract: Structure and function insights using in silico approaches.
Sign Up to like & getrecommendations! Published in 2019 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2018.12.065
Abstract: Oat (Avena sativa L.) seedling extract exhibited a high degree of catalytic activities. Bioinformatics were used to identify β-amylases as abundant enzymes in the oat seedling extract. These identified oat enzymes are a member of… read more here.
Keywords: seedling extract; oat seedling; using silico; gh14 family ... See more keywords
Design, Synthesis, and In Vitro and In Silico Approaches of Novel Indanone Derivatives as Multifunctional Anti-Alzheimer Agents
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c06906
Abstract: Alzheimer’s disease (AD) is a neurological, progressive illness that typically affects the elderly and is clinically distinguished by memory and cognitive decline. Due to a number of factors, including the absence of a radical treatment,… read more here.
Keywords: design synthesis; silico approaches; inhibition; synthesis ... See more keywords
In silico approaches for the identification of potential allergens among hypothetical proteins from Alternaria alternata and its functional annotation
Sign Up to like & getrecommendations! Published in 2024 at "Scientific Reports"
DOI: 10.1038/s41598-024-55463-1
Abstract: Direct exposure to the fungal species Alternaria alternata is a major risk factor for the development of asthma, allergic rhinitis, and inflammation. As of November 23rd 2020, the NCBI protein database showed 11,227 proteins from… read more here.
Keywords: functional annotation; potential allergens; silico approaches; hypothetical proteins ... See more keywords
Identifying RAGE inhibitors as potential therapeutics for Alzheimer’s disease via integrated in-silico approaches
Sign Up to like & getrecommendations! Published in 2025 at "Scientific Reports"
DOI: 10.1038/s41598-025-01271-0
Abstract: Alzheimer’s disease is a neurodegenerative disorder characterized by two hallmarks: amyloid beta plaques and neurofibrillary tangles. The receptor for advanced glycation end products (RAGE) is a multi-ligand receptor involved in the pathophysiology of various diseases… read more here.
Keywords: silico approaches; rage; alzheimer disease; rage inhibitors ... See more keywords
In Silico Approaches to Identify Polyphenol Compounds as α-Glucosidase and α-Amylase Inhibitors against Type-II Diabetes
Sign Up to like & getrecommendations! Published in 2021 at "Biomolecules"
DOI: 10.3390/biom11121877
Abstract: Type-II diabetes mellitus (T2DM) results from a combination of genetic and lifestyle factors, and the prevalence of T2DM is increasing worldwide. Clinically, both α-glucosidase and α-amylase enzymes inhibitors can suppress peaks of postprandial glucose with… read more here.
Keywords: identify polyphenol; type diabetes; glucosidase amylase; silico approaches ... See more keywords
An in Silico Approach to Identifying TF Binding Sites: Analysis of the Regulatory Regions of BUSCO Genes from Fungal Species in the Ceratocystidaceae Family
Sign Up to like & getrecommendations! Published in 2023 at "Genes"
DOI: 10.3390/genes14040848
Abstract: Transcriptional regulation controls gene expression through regulatory promoter regions that contain conserved sequence motifs. These motifs, also known as regulatory elements, are critically important to expression, which is driving research efforts to identify and characterize… read more here.
Keywords: silico approaches; family; silico approach; approach identifying ... See more keywords
Ligand-Induced Biased Activation of GPCRs: Recent Advances and New Directions from In Silico Approaches
Sign Up to like & getrecommendations! Published in 2025 at "Molecules"
DOI: 10.3390/molecules30051047
Abstract: G-protein coupled receptors (GPCRs) are the largest family of membrane proteins engaged in transducing signals from the extracellular environment into the cell. GPCR-biased signaling occurs when two different ligands, sharing the same binding site, induce… read more here.
Keywords: biased activation; ligand induced; induced biased; biased signaling ... See more keywords
Measuring Structural Changes in Cytochrome c under Crowded Conditions Using In Vitro and In Silico Approaches
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14224808
Abstract: It is known from in vitro studies that macromolecular crowding in the cell effects protein structure, stability and function; but predictive studies are relatively unexplored. There are few reports where the effect of various crowder… read more here.
Keywords: silico approaches; environment; structure; effect ... See more keywords