Mode action prediction of catechin from Uncaria gambir Roxb. against UDP-N-acetylenolpyruvyl-glucosamine reductase (MurB enzyme) of Streptococcus mutans

Dharsono, Hendra Dian Adhita; Wibisono, Lydiawati; Hayati, Ayu Trisna; Apriyanti, Eti; Satari, Mieke Hemiawati; Kurnia, Dikdik

doi:10.4103/japtr.japtr_313_21

Cited by 3 publications

(1 citation statement)

References 16 publications

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“…A majority of the phytochemical substances derived from gambir are categorized into the flavonoid, phenolic, and alkaloid groups [ 9 ]. Recent studies proved that the bioactive compounds of gambir have antibacterial, anticancer, anti-inflammation, as well as antifibrotic effects [ 10 , 11 , 12 , 13 ]. Desdiani et al [ 14 , 15 ] found using in vivo study that gambir has antifibrotic effect against lung fibrosis through inhibition of nuclear factor kappa-B (NF-κB) and transforming growth factor receptor (TGF-βR).…”

Section: Introductionmentioning

confidence: 99%

Profibrotic Inflammatory Cytokines and Growth Factors Are Predicted as the Key Targets of Uncaria gambir (Hunter) Roxb. in Keloids: An Epistatic and Molecular Simulation Approach

Ningsih,

Fadilah,

Jusman

et al. 2024

Pharmaceuticals

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Keloid is characterized as the fibrotic tissue resulting from the increase of fibroblast activity. Uncaria gambir (Hunter) Roxb. possesses bioactive compounds that have potential as antifibrotic agents, while the mechanism of action in keloid has not yet been elucidated. The aim of this study was to investigate the interaction of gambir bioactive compounds with keloid target proteins using an epistatic and molecular simulation approach. The known bioactive compounds of gambir targets and keloid-related protein targets were screened using databases. The network was constructed and analyzed to obtain the core protein targets. The targets were enriched to describe the Gene Ontology (GO) and pathway related to the proteins. Eleven targets were defined as the main targets of gambir bioactive compounds related to keloid disease. Gambiriin C, Isogambirine, and Procyanidin B1 were identified as the most promising compounds with the highest binding energy to transforming growth factor beta 1 (TGFβ1), AKT serine/threonine kinase 1 (AKT1), and matrix metallopeptidase 1 (MMP1) as the target proteins. GO enrichment and pathway analysis found that gambir bioactive compounds may act on keloid-related target proteins to regulate cell proliferation, migration, transcription, and signal transduction activity via profibrotic cytokine and growth factor signaling pathways. This study provides a reference for potential targets, compounds, and pathways to explain the mechanism of gambir against keloid.

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Section: Introductionmentioning

confidence: 99%

Profibrotic Inflammatory Cytokines and Growth Factors Are Predicted as the Key Targets of Uncaria gambir (Hunter) Roxb. in Keloids: An Epistatic and Molecular Simulation Approach

Ningsih,

Fadilah,

Jusman

et al. 2024

Pharmaceuticals

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Cholera Outbreaks in Zimbabwe: An In‐Depth Analysis of Drivers, Constraints and Reimagining the Use of Medicinal Plants

Marumure,

Nyila

2024

Journal of Tropical Medicine

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Cholera, an intestinal infection caused by Vibrio cholerae, poses a severe threat to public health, particularly in developing countries. This narrative review discusses drivers for cholera outbreaks, challenges and viable alternatives, in Zimbabwe. A literature search was conducted using electronic databases notably ScienceDirect, Google Scholar and PubMed, as well as thesis and conference papers. Evidence indicates that the epidemiology, as well as risk factors, includes (1) extreme droughts; (2) political meddling in health issues and water supply; (3) natural disasters; (4) migration; (5) problems with water and sanitation; and (6) the endemic nature of the causative agent as well as its development of drug resistance. Reliable supply of clean water and proper sanitation and hygiene as the main key to prevention is emphasised. The use of antibiotics and vaccines for therapy, as well as the use of medicinal plants in traditional medicine, is discussed. Kirkia acuminata and Ziziphus mucronata root and stem bark infusions or decoctions were revealed to be the most common folklore treatments for cholera in rural communities. The potential of medicinal plants as anti‐Vibrio cholerae remedies based on their positive antibacterial assays, and mechanism of action is also presented. Finally, the development of innovative anti‐Vibrio cholerae therapeutics based on natural leads and compounds and adapted for use in resource‐constrained cholera‐prone areas is viewed as a potential option, to complement cholera prevention and treatment, particularly in resource‐limited endemic areas.

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Tannin derived from Uncaria gambir Roxb. as potential Enterococcus faecalis UDP-N-Acetylenolpyruvoyl-Glucosamine Reductase (Mur Benzyme) inhibitor: In-silico antibacterial study

Adhita Dharsono,

Mujahid,

Apriyanti

et al. 2023

RJPT

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The high prevalence of pulp and periapical disease is an important problem for dental and oral health in dentistry. Treatment of pulp and periapical disease is generally carried out utilizing root canal treatment, but the results of the treatment are often not as expected. Enterococcus faecalis is a bacterium that plays a role in the failure of root canal treatment. E. faecalis are Gram-positive bacteria that use the Muramidase B (MurB) enzyme in the biosynthesis of peptidoglycan, which will build bacteria cell walls and play an important role in protecting bacteria. Gambir (Uncaria gambir Roxb.) is an herbal plant that is used in the field of medicine and contains tannin compounds that have antibacterial activity. The purpose of this study was to predict the antibacterial activity of Gambir extracts against the MurB enzyme compared with chlorhexidine through in silico approach. The Mur B enzyme was obtained from the Protein Data Bank (PDB), and the structure of the compound (tannins and chlorhexidine) was obtained from Pubchem. Using Auto dock tools from Pyrx software for docking between the two compounds (tannin and chlorhexidine) with the MurB enzyme, and visualize using Pymol and 3D analysis using Biovia. The results showed that tannins had a binding affinity of more than -7.4 kcal.mol-1 to the MurB enzyme and chlorhexidine had a higher binding affinity than tannins. Both tannins and chlorhexidine have hydrogen bonds with the same three amino acids, that is ARG 159, GLY 123, and ASN 233. The results showed that tannins interacted with the MurB enzyme and could inhibit the action of the MurB enzyme.

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Mode action prediction of catechin from Uncaria gambir Roxb. against UDP-N-acetylenolpyruvyl-glucosamine reductase (MurB enzyme) of Streptococcus mutans

Cited by 3 publications

References 16 publications

Profibrotic Inflammatory Cytokines and Growth Factors Are Predicted as the Key Targets of Uncaria gambir (Hunter) Roxb. in Keloids: An Epistatic and Molecular Simulation Approach

Profibrotic Inflammatory Cytokines and Growth Factors Are Predicted as the Key Targets of Uncaria gambir (Hunter) Roxb. in Keloids: An Epistatic and Molecular Simulation Approach

Cholera Outbreaks in Zimbabwe: An In‐Depth Analysis of Drivers, Constraints and Reimagining the Use of Medicinal Plants

Tannin derived from Uncaria gambir Roxb. as potential Enterococcus faecalis UDP-N-Acetylenolpyruvoyl-Glucosamine Reductase (Mur Benzyme) inhibitor: In-silico antibacterial study

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