Your browser doesn't support javascript.
loading
In vitro and in silico studies of the potential cytotoxic, antioxidant, and HMG CoA reductase inhibitory effects of chitin from Indonesia mangrove crab (Scylla serrata) shells.
Fajriaty, Inarah; Fidrianny, Irda; Kurniati, Neng Fisheri; Fauzi, Norsyahida Mohd; Mustafa, Sarmila Hanim; Adnyana, I Ketut.
Afiliación
  • Fajriaty I; Department of Pharmacology and Clinical Pharmacy, School of Pharmacy, Bandung Institute of Technology, Ganesha 10, Bandung 40132, Indonesia.
  • Fidrianny I; Department of Pharmacy, Faculty of Medicine, Universitas Tanjungpura, Hadari Nawawi, Pontianak 78124, Indonesia.
  • Kurniati NF; Department of Pharmaceutical Biology, School of Pharmacy, Bandung Institute of Technology, Ganesha 10, Bandung 40132, Indonesia.
  • Fauzi NM; Department of Pharmacology and Clinical Pharmacy, School of Pharmacy, Bandung Institute of Technology, Ganesha 10, Bandung 40132, Indonesia.
  • Mustafa SH; Centre for Drug and Herbal Development, Faculty of Pharmacy, Universiti Kebangsaan Malaysia, Raja Muda Abdul Aziz, Kuala Lumpur 50300, Malaysia.
  • Adnyana IK; Centre for Drug and Herbal Development, Faculty of Pharmacy, Universiti Kebangsaan Malaysia, Raja Muda Abdul Aziz, Kuala Lumpur 50300, Malaysia.
Saudi J Biol Sci ; 31(5): 103964, 2024 May.
Article en En | MEDLINE | ID: mdl-38500815
ABSTRACT
This study aimed to characterize chitin extracted from Indonesia mangrove crab (Scylla serrata) shells, as well as to assess its in vitro cytotoxic, antioxidant, and HMG CoA reductase inhibitory potentials. In silico molecular docking, molecular dynamic, and ADMET prediction analyses were also carried out. Chitin was extracted from mangrove crab shells using deproteination and demineralization processes, Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) characterization are then performed. The MTT method was further tested in a study of cell viability, while in vitro method was used to assess HMG CoA reductase inhibitory and antioxidant activities. The extracted chitin was found to have a moderate level of cytotoxic and antioxidant activities. In vitro studies showed that it has an IC50 of 36,65 ± 0,082 µg/mL as an HMG CoA reductase inhibitor, and decreased enzyme activity by 68.733 % at 100 µg/mL as a concentration. Furthermore, in the in silico study, chitin showed a strong affinity to several targets, including HMG CoA reductase, HMG synthase, LDL receptor, PPAR-alfa, and HCAR-2 with binding energies of -5.7; -5.8; -3.6; -5.6; -4.6 kcal/mol, respectively. Based on the ADMET properties, it had non-toxic molecules, which were absorbed and distributed across the blood-brain barrier. The molecular dynamics (MD) simulation also showed that it remained stable in the active sites of HMG CoA reductase receptor for 100 ns. These results indicated that chitin from Indonesian mangrove crab shells can be used to develop more potent HMG CoA reductase inhibitor with antioxidant and cytotoxic activities for effective dyslipidemia therapy.
Palabras clave
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Saudi J Biol Sci Año: 2024 Tipo del documento: Article País de afiliación: Indonesia Pais de publicación:
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Saudi J Biol Sci Año: 2024 Tipo del documento: Article País de afiliación: Indonesia Pais de publicación: