Salvianolic acid B noncovalently interacts with disordered c-Myc : a computational and spectroscopic-based study
Aims: c-Myc, along with its partner MAX, regulates the expression of several genes, leading to an oncogenic phenotype. The MAX interacting interface of c-Myc is disordered and uncharacterized for small molecule binding. Salvianolic acid B possesses numerous therapeutic properties, including anticancer activity. The current study was designed to elucidate the interaction of the Sal_Ac_B with the disordered bHLH domain of c-Myc using computational and biophysical techniques. Materials & methods: The binding of Sal_Ac_B with Myc was studied using computational and biophysical techniques, including molecular docking and simulation, fluorescence lifetime, circular dichroism and anisotropy. Results & conclusions: The study demonstrated a high binding potential of Sal_Ac_B against the disordered Myc peptide. The binding of the compounds leads to an overall conformational change in Myc. Moreover, an extensive simulation study showed a stable Sal_Ac_B/Myc binding.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2021 |
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| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:13 |
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| Enthalten in: |
Future medicinal chemistry - 13(2021), 16 vom: 01. Aug., Seite 1341-1352 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Singh, Ashutosh [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 26.01.2022 Date Revised 26.01.2022 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.4155/fmc-2021-0087 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM326628452 |
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| 245 | 1 | 0 | |a Salvianolic acid B noncovalently interacts with disordered c-Myc |b a computational and spectroscopic-based study |
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| 500 | |a Date Revised 26.01.2022 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Aims: c-Myc, along with its partner MAX, regulates the expression of several genes, leading to an oncogenic phenotype. The MAX interacting interface of c-Myc is disordered and uncharacterized for small molecule binding. Salvianolic acid B possesses numerous therapeutic properties, including anticancer activity. The current study was designed to elucidate the interaction of the Sal_Ac_B with the disordered bHLH domain of c-Myc using computational and biophysical techniques. Materials & methods: The binding of Sal_Ac_B with Myc was studied using computational and biophysical techniques, including molecular docking and simulation, fluorescence lifetime, circular dichroism and anisotropy. Results & conclusions: The study demonstrated a high binding potential of Sal_Ac_B against the disordered Myc peptide. The binding of the compounds leads to an overall conformational change in Myc. Moreover, an extensive simulation study showed a stable Sal_Ac_B/Myc binding | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Research Support, Non-U.S. Gov't | |
| 650 | 4 | |a MD simulations | |
| 650 | 4 | |a c-Myc/MAX heterodimer | |
| 650 | 4 | |a fluorescence lifetime | |
| 650 | 4 | |a salvianolic Acid B | |
| 650 | 4 | |a time-resolved anisotropy | |
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| 700 | 1 | |a Kumar, Ankur |e verfasserin |4 aut | |
| 700 | 1 | |a Kumar, Prateek |e verfasserin |4 aut | |
| 700 | 1 | |a Bhardwaj, Taniya |e verfasserin |4 aut | |
| 700 | 1 | |a Giri, Rajanish |e verfasserin |4 aut | |
| 700 | 1 | |a Garg, Neha |e verfasserin |4 aut | |
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