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 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
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
Structural and functional characterization of SARS-CoV-2 nucleocapsid protein mutations identified in Turkey by using in silico approaches.
Sign Up to like & getrecommendations! Published in 2023 at "Acta virologica"
DOI: 10.4149/av_2023_106
Abstract: Missense mutations in the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus may cause changes in the structure of proteins. The nucleocapsid (N) protein is an important target for drugs and vaccines. The main purpose… read more here.
Keywords: nucleocapsid protein; using silico; silico approaches; missense mutations ... See more keywords
In silico approaches using pharmacophore model combined with molecular docking for discovery of novel ULK1 inhibitors.
Sign Up to like & getrecommendations! Published in 2021 at "Future medicinal chemistry"
DOI: 10.4155/fmc-2020-0253
Abstract: Background: Discovery of effective autophagy-initiating kinase ULK1 inhibitors has attracted more and more attention in cancer treatment. Methodology & results: The present study describes the application of a pharmacophore-based virtual screening and structure-based docking approach guided… read more here.
Keywords: approaches using; novel ulk1; discovery; ulk1 inhibitors ... See more keywords