Identification and validation of potent Mycobacterial proteasome inhibitor from Enamine library
| Autor: | Ramendra Pati Pandey, V. Samuel Raj, Shingini Sharma, Mitul Srivastava, Shailendra Asthana, Rashmi Tyagi, Dhruv Kumar, Baldeep Singh |
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| Rok vydání: | 2021 |
| Předmět: |
Tuberculosis
biology Chemistry Drug resistant tuberculosis food and beverages General Medicine biology.organism_classification medicine.disease Virology Enamine chemistry.chemical_compound Proteasome Structural Biology Proteasome inhibitor medicine Identification (biology) Molecular Biology Mycobacterium medicine.drug |
| Zdroj: | Journal of Biomolecular Structure and Dynamics. 40:8644-8654 |
| ISSN: | 1538-0254 0739-1102 |
| Popis: | As a consequence of present status of tuberculosis (TB) it is the obligation to develop novel targets and potential drugs so that rate of drug resistant TB can be declined. Mycobacterium proteasome is considered to be significant target for the purpose of drug designing as it is responsible for resisting the effect of NO (nitric oxide) immune system defence mechanism against the bacterial cells. Small compounds library from Enamine database has already been tested using virtual screening and molecular docking studies. Further a reanalysis with two picked out significant compounds Z1020863610, Z106766984 was carried out using molecular dynamic simulation studies and in vitro validations ( |
| Databáze: | OpenAIRE |
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