Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins
This reprint contains several articles where the molecular mechanisms and structural changes in target proteins on interaction with various viruses and bacteria were studied. In addition, drug-protein interactions, drug–drug interaction mechanisms, anti-Glycating, antioxidant, binding affinity, netw...
שמור ב:
| פורמט: | Online |
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| שפה: | אנגלית |
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MDPI - Multidisciplinary Digital Publishing Institute
2023
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| נושאים: | |
| גישה מקוונת: | ONIX_20230202_9783036562261_30 |
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| _version_ | 1869525573643010048 |
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| collection | Directory of Open Access Books |
| description | This reprint contains several articles where the molecular mechanisms and structural changes in target proteins on interaction with various viruses and bacteria were studied. In addition, drug-protein interactions, drug–drug interaction mechanisms, anti-Glycating, antioxidant, binding affinity, network pharmacology-driven investigations, and targeted anticancer treatments were also investigated. |
| format | Online |
| id | doab-20.500.12854ir-96629 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2023 |
| publishDateRange | 2023 |
| publishDateSort | 2023 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-966292024-03-31T13:08:13Z Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins Wani, Tanveer A. Zargar, Seema Hussain, Afzal RSV ectodomain G protein heparan sulfate protein–ligand interaction fluorescence quenching molecular docking molecular dynamic simulation quercetin CCL4 neurotoxicity VirtualToxLab oxidative stress markers Huperzine A molecular dynamics simulation fluorescence spectroscopy human serum albumin neurodegenerative disorders drug–protein interactions erlotinib bovine serum albumin binding interaction competition hepatitis E virus methyltransferase protein stability enzyme assay garlic antioxidant anti-glycation glycation AGEs HSA quetiapine hydrophobic interaction thermodynamic parameters seproxetine antidepressant charge transfer π-acceptors DFT haloperidol antipsychotics keratoconus MMP-2 MMP-9 molecular dynamics MM-GBSA calculations pharmacophore mapping α-amylase advanced glycation end-products caffeic acid coumaric acid coronary artery disease phytotherapy network pharmacology angiogenesis zebrafish dynamics molecular docking NEK7 virtual screening DFTs deep learning drug design drug repurposing structural-based cancer A. aspera β-amyrin C. gigantea C. procera GC-MS Minimum inhibitory concentration (MIC) Molecular docking MD simulations Tuberculosis (TB) n/a thema EDItEUR::M Medicine and Nursing thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology This reprint contains several articles where the molecular mechanisms and structural changes in target proteins on interaction with various viruses and bacteria were studied. In addition, drug-protein interactions, drug–drug interaction mechanisms, anti-Glycating, antioxidant, binding affinity, network pharmacology-driven investigations, and targeted anticancer treatments were also investigated. 2023-02-02T16:27:15Z 2023-02-02T16:27:15Z 2023 book ONIX_20230202_9783036562261_30 9783036562261 9783036562254 https://directory.doabooks.org/handle/20.500.12854/96629 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/6574 https://mdpi.com/books/pdfview/book/6574 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-6225-4 10.3390/books978-3-0365-6225-4 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036562261 9783036562254 276 Basel open access |
| spellingShingle | RSV ectodomain G protein heparan sulfate protein–ligand interaction fluorescence quenching molecular docking molecular dynamic simulation quercetin CCL4 neurotoxicity VirtualToxLab oxidative stress markers Huperzine A molecular dynamics simulation fluorescence spectroscopy human serum albumin neurodegenerative disorders drug–protein interactions erlotinib bovine serum albumin binding interaction competition hepatitis E virus methyltransferase protein stability enzyme assay garlic antioxidant anti-glycation glycation AGEs HSA quetiapine hydrophobic interaction thermodynamic parameters seproxetine antidepressant charge transfer π-acceptors DFT haloperidol antipsychotics keratoconus MMP-2 MMP-9 molecular dynamics MM-GBSA calculations pharmacophore mapping α-amylase advanced glycation end-products caffeic acid coumaric acid coronary artery disease phytotherapy network pharmacology angiogenesis zebrafish dynamics molecular docking NEK7 virtual screening DFTs deep learning drug design drug repurposing structural-based cancer A. aspera β-amyrin C. gigantea C. procera GC-MS Minimum inhibitory concentration (MIC) Molecular docking MD simulations Tuberculosis (TB) n/a thema EDItEUR::M Medicine and Nursing thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title | Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title_full | Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title_fullStr | Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title_full_unstemmed | Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title_short | Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins |
| title_sort | spectroscopic thermodynamic and molecular docking studies on molecular mechanisms of drug binding to proteins |
| topic | RSV ectodomain G protein heparan sulfate protein–ligand interaction fluorescence quenching molecular docking molecular dynamic simulation quercetin CCL4 neurotoxicity VirtualToxLab oxidative stress markers Huperzine A molecular dynamics simulation fluorescence spectroscopy human serum albumin neurodegenerative disorders drug–protein interactions erlotinib bovine serum albumin binding interaction competition hepatitis E virus methyltransferase protein stability enzyme assay garlic antioxidant anti-glycation glycation AGEs HSA quetiapine hydrophobic interaction thermodynamic parameters seproxetine antidepressant charge transfer π-acceptors DFT haloperidol antipsychotics keratoconus MMP-2 MMP-9 molecular dynamics MM-GBSA calculations pharmacophore mapping α-amylase advanced glycation end-products caffeic acid coumaric acid coronary artery disease phytotherapy network pharmacology angiogenesis zebrafish dynamics molecular docking NEK7 virtual screening DFTs deep learning drug design drug repurposing structural-based cancer A. aspera β-amyrin C. gigantea C. procera GC-MS Minimum inhibitory concentration (MIC) Molecular docking MD simulations Tuberculosis (TB) n/a thema EDItEUR::M Medicine and Nursing thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology |
| topic_facet | RSV ectodomain G protein heparan sulfate protein–ligand interaction fluorescence quenching molecular docking molecular dynamic simulation quercetin CCL4 neurotoxicity VirtualToxLab oxidative stress markers Huperzine A molecular dynamics simulation fluorescence spectroscopy human serum albumin neurodegenerative disorders drug–protein interactions erlotinib bovine serum albumin binding interaction competition hepatitis E virus methyltransferase protein stability enzyme assay garlic antioxidant anti-glycation glycation AGEs HSA quetiapine hydrophobic interaction thermodynamic parameters seproxetine antidepressant charge transfer π-acceptors DFT haloperidol antipsychotics keratoconus MMP-2 MMP-9 molecular dynamics MM-GBSA calculations pharmacophore mapping α-amylase advanced glycation end-products caffeic acid coumaric acid coronary artery disease phytotherapy network pharmacology angiogenesis zebrafish dynamics molecular docking NEK7 virtual screening DFTs deep learning drug design drug repurposing structural-based cancer A. aspera β-amyrin C. gigantea C. procera GC-MS Minimum inhibitory concentration (MIC) Molecular docking MD simulations Tuberculosis (TB) n/a thema EDItEUR::M Medicine and Nursing thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology |
| url | ONIX_20230202_9783036562261_30 |