Ensemble-Based Virtual Screening of Mycobacterium tuberculosis ClpC1 Inhibitors

Tayyab, Hafsa; Ridzwan, Nor Farrah Wahidah; Mohamad, Saharuddin Bin

doi:10.26502/acbr.50170264

Cited by 2 publications

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“…A graph of phosphate content released was analyzed by OriginPro 8 program. Ecumicin and rufomycin were used as drugs control 13,26 …”

Section: Methodsmentioning

confidence: 99%

CLPC1 protein inhibition, antimycobacterial, and anti‐inflammatory properties of the metabolite from Streptomyces wuyuanensis collected in Nghe An province, Vietnam

Ni,

Ninh,

Dung

et al. 2024

Vietnam Journal of Chemistry

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Streptomyces wuyuanensis A79 was isolated from the soil samples collected in Quynh Luong mangrove forest, Quynh Luu district, Nghe An province, Vietnam. This strain demonstrated antimycobacterial activity against Mycobacterium smegmatis. Compound 1 (indole‐3‐carboxylic acid) was isolated from the culture extract of S. wuyuanensis (A79). This compound displayed the affection of ATPase activity of the recombinant ClpC1 protein, a regulatory protein of Mycobacterium tuberculosis. In addition, compound 1 exhibited anti‐inflammatory activity through the inhibition of TNF‐α on LPS‐stimulated macrophage RAW264.7. This is the first time compound 1 (indole‐3‐carboxylic acid) has been isolated from S. wuyuanensis. Indole‐3‐carboxylic acid was also reported for the first time its inhibition of M. tuberculosis ClpC1 protein.

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“…A graph of phosphate content released was analyzed by OriginPro 8 program. Ecumicin and rufomycin were used as drugs control 13,26 …”

Section: Methodsmentioning

confidence: 99%

CLPC1 protein inhibition, antimycobacterial, and anti‐inflammatory properties of the metabolite from Streptomyces wuyuanensis collected in Nghe An province, Vietnam

Ni,

Ninh,

Dung

et al. 2024

Vietnam Journal of Chemistry

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“…Data were expressed as mean ± standard error (SD) or frequency (%). Ecumicin and rufomycin (provided by the Nutrition and Pharmaceutical Center, Yongin, Republic of Korea) were used as a positive control in this screening study [14,35,36].…”

Section: Atpase Activity Assaymentioning

confidence: 99%

Metabolites from Streptomyces aureus (VTCC43181) and Their Inhibition of Mycobacterium tuberculosis ClpC1 Protein

Tran,

Huynh,

Pham

et al. 2024

Molecules

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Tuberculosis is one of the most common infectious diseases in the world, caused by Mycobacterium tuberculosis. The outbreak of multiple drug-resistant tuberculosis has become a major challenge to prevent this disease worldwide. ClpC1 is a Clp ATPase protein of Mycobacterium tuberculosis, functioning as a chaperon when combined with the Clp complex. ClpC1 has emerged as a new target to discover anti-tuberculosis drugs. This study aimed to explore the ClpC1 inhibitors from actinomycetes, which have been known to provide abundant sources of antibiotics. Two cyclic peptides, including nocardamin (1), halolitoralin A (3), and a lactone pleurone (2), were isolated from the culture of Streptomyces aureus (VTCC43181). The structures of these compounds were determined based on the detailed analysis of their spectral data and comparison with references. This is the first time these compounds have been isolated from S. aureus. Compounds 1–3 were evaluated for their affection of ATPase activity of the recombinant ClpC1 protein. Of these compounds, halolitoralin A (1), a macrocyclic peptide, was effective for the ATPase hydrolysis of the ClpC1 protein.

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Ensemble-Based Virtual Screening of Mycobacterium tuberculosis ClpC1 Inhibitors

Cited by 2 publications

References 0 publications

CLPC1 protein inhibition, antimycobacterial, and anti‐inflammatory properties of the metabolite from Streptomyces wuyuanensis collected in Nghe An province, Vietnam

CLPC1 protein inhibition, antimycobacterial, and anti‐inflammatory properties of the metabolite from Streptomyces wuyuanensis collected in Nghe An province, Vietnam

Metabolites from Streptomyces aureus (VTCC43181) and Their Inhibition of Mycobacterium tuberculosis ClpC1 Protein

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