HR-LCMS-BASED METABOLITE PROFILING, AND ANTI-COLAGENASE PROPERTIES OF ETHANOLIC EXTRACT OF PIDADA MERAH: COMPUTATIONAL AND IN VITRO STUDY

EKA SISWANTO SYAMSUL; SALMAN UMAR; FATMA SRI WAHYUNI; RONNY MARTIEN; DWI LESTARI; DACHRIYANUS HAMIDI

doi:10.22159/ijap.2023.v15s1.47504

Authors

EKA SISWANTO SYAMSUL Faculty of Pharmacy, Universitas Andalas, Padang, West Sumatera, 25175 Indonesia, Sekolah Tinggi Ilmu Kesehatan Samarinda, Samarinda, East Borneo, 75124 Indonesia
SALMAN UMAR Faculty of Pharmacy, Universitas Andalas, Padang, West Sumatera, 25175 Indonesia
FATMA SRI WAHYUNI Faculty of Pharmacy, Universitas Andalas, Padang, West Sumatera, 25175 Indonesia
RONNY MARTIEN Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta, 55281Indonesia
DWI LESTARI Faculty of Pharmacy, Universitas Muhammadiyah Kalimantan Timur, Samarinda, East Borneo 75124 Indonesia
DACHRIYANUS HAMIDI Faculty of Pharmacy, Universitas Andalas, Padang, West Sumatera, 25175 Indonesia

DOI:

https://doi.org/10.22159/ijap.2023.v15s1.47504

Keywords:

Anti-collagenase, In silico, In vitro, docking molecular, Pidada merah

Abstract

Objective: Extract of pidada merah (Sonneratia caseolaris) leaves has very strong antioxidant activity and has potential as anti-aging. This study aimed to determine the anti-collagenase activity in silico and in vitro. Molecular docking includes exploring proteins or nucleotides, modeling 3D structures, and calculating bond energies. Collagenases are enzymes that can hydrolyze native collagen into fragment collagen peptides.

Methods: Investigation of in silico docking activity for collagenase receptors (966C). We performed metabolomics analysis through HR-LCMS on the extract pidada merah. To explore the use value of anti-collagenase, we analyzed the molecular docking of metabolites profiling pidada merah. In vitro study used a collagenase assay kit.

Results: Metabolite profiling on the HR-LCMS from Pidada Merah extract are A (AL_8810), B (NP_001596), C (NP_018716) and D (NP_021797). The anti-collagenase test showed the IC50 value = 26.74±0.40 ppm, which is the very strong category. NP_018716 has the lowest binding energy value with the target protein, which is -6.0, and binds to THR241 (2.24Å) and SER239 (3.35Å) and is the best compound according to calculations.

Conclusion: The results of this study indicate that the Extract Pidada merah has the Potential to be developed as a new drug for antiaging.

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