Insights into the binding mechanism between α‐TOH and CYP4F2: A homology modeling, molecular docking, and molecular dynamics simulation study
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Cellular Biochemistry"
DOI: 10.1002/jcb.30391
Abstract: α‐Tocopherol (α‐TOH) is a potent antioxidant. The concentrations of α‐TOH in plasma are closely related to human health. α‐TOH can be regulated by the metabolism of cytochrome P450 4F2 (CYP4F2). However, the atomic‐level basis for… read more here.
Keywords: cyp4f2 homology; cyp4f2; homology modeling; toh cyp4f2 ... See more keywords
Homology Modeling of Class A G-Protein-Coupled Receptors in the Age of the Structure Boom.
Sign Up to like & getrecommendations! Published in 2021 at "Methods in molecular biology"
DOI: 10.1007/978-1-0716-1468-6_5
Abstract: With 700 members, G protein-coupled receptors (GPCRs) of the rhodopsin family (class A) form the largest membrane receptor family in humans and are the target of about 30% of presently available pharmaceutical drugs. The recent… read more here.
Keywords: boom; protein coupled; coupled receptors; homology modeling ... See more keywords
Homology Modeling of Protein Targets with MODELLER.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9752-7_15
Abstract: Homology modeling is a computational approach to generate three-dimensional structures of protein targets when experimental data about similar proteins are available. Although experimental methods such as X-ray crystallography and nuclear magnetic resonance spectroscopy successfully solved… read more here.
Keywords: modeling protein; targets modeller; homology modeling; spectroscopy ... See more keywords
Identification and homology modeling of a new biotechnologically compatible serine alkaline protease from moderately halotolerant Gracilibacillus boraciitolerans strain LO15.
Sign Up to like & getrecommendations! Published in 2020 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2020.07.266
Abstract: A new serine alkaline protease (designated as SAPGB) from Gracilibacillus boraciitolerans LO15, was produced (9000 U/mL), purified, and characterized. SAPGB has a monomer structure with a precise molecular weight of 30,285.03 Da as learnt from matrix-assisted laser… read more here.
Keywords: gracilibacillus boraciitolerans; serine alkaline; protease; homology modeling ... See more keywords
Insights into the structural requirements of PKCζ inhibitors as potential anti-arthritis agents based on 3D-QSAR, homology modeling and docking approach
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131148
Abstract: Abstract Protein Kinase C ζ (PKCζ) has emerged as a promising novel drug target for the treatment of arthritis. A series of isoquinoline PKCζ inhibitors were analyzed through CoMFA, CoMSIA, homology modeling, and molecular docking… read more here.
Keywords: structural requirements; homology modeling; insights structural; pkc inhibitors ... See more keywords
Whole genome analysis and homology modeling of SARS-CoV-2 Indian isolate reveals potent FDA approved drug choice for treating COVID-19
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2022.2038272
Abstract: Abstract Coronaviruses have caused enough devastation in the last two decades. These viruses have some rare features while sharing some common features. Novel coronavirus disease (nCoV-19) caused an outbreak with a fatality rate of 5%.… read more here.
Keywords: homology modeling; analysis; isolate; fda approved ... See more keywords
GPCRM: a homology modeling web service with triple membrane-fitted quality assessment of GPCR models
Sign Up to like & getrecommendations! Published in 2018 at "Nucleic Acids Research"
DOI: 10.1093/nar/gky429
Abstract: Abstract Due to the involvement of G protein-coupled receptors (GPCRs) in most of the physiological and pathological processes in humans they have been attracting a lot of attention from pharmaceutical industry as well as from… read more here.
Keywords: web service; quality; gpcrm; homology modeling ... See more keywords
Ten quick tips for homology modeling of high-resolution protein 3D structures
Sign Up to like & getrecommendations! Published in 2020 at "PLoS Computational Biology"
DOI: 10.1371/journal.pcbi.1007449
Abstract: Author summary The purpose of this quick guide is to help new modelers who have little or no background in comparative modeling yet are keen to produce high-resolution protein 3D structures for their study by… read more here.
Keywords: high resolution; protein structures; resolution protein; homology modeling ... See more keywords
Homology Modeling and Structural Dynamics of the Glucose Oxidase
Sign Up to like & getrecommendations! Published in 2019 at "Indonesian Journal of Chemistry"
DOI: 10.22146/ijc.39135
Abstract: Glucose oxidase from Aspergillus niger IPBCC.08.610 (GOD_IPBCC) is a locally sourced flavoenzyme from Indonesia that can potentially be developed in a variety of industrial processes. Although this enzyme has a high activity in catalyzing the… read more here.
Keywords: glucose oxidase; structural dynamics; homology modeling; structure ... See more keywords
Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Cellular and Infection Microbiology"
DOI: 10.3389/fcimb.2022.859981
Abstract: The therapeutic challenges pertaining to leishmaniasis due to reported chemoresistance and toxicity necessitate the need to explore novel pathways to identify plausible inhibitory molecules. Leishmania donovani 24-sterol methyltransferase (LdSMT) is vital for the synthesis of… read more here.
Keywords: sterol methyltransferase; donovani sterol; homology modeling; identify potential ... See more keywords
Identification of Novel Mitochondrial Pyruvate Carrier Inhibitors by Homology Modeling and Pharmacophore-Based Virtual Screening
Sign Up to like & getrecommendations! Published in 2022 at "Biomedicines"
DOI: 10.3390/biomedicines10020365
Abstract: The mitochondrial pyruvate carrier (MPC) is an inner-mitochondrial membrane protein complex that has emerged as a drug target for treating a variety of human conditions. A heterodimer of two proteins, MPC1 and MPC2, comprises the… read more here.
Keywords: pyruvate; pyruvate carrier; homology modeling; mpc ... See more keywords