Molecular Docking of Thaflavine from Camellia sinensis in Inhibiting B-Cell Lymphoma Through BCl2 Apoptosis Regulator: An In Silico Study DOI Open Access
Rahadian Zainul,

Rismi Verawati,

Herland Satriawan

et al.

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 500 - 505

Published: Aug. 15, 2023

This study aims to analyze the potential of Thaflavine, a compound found in green tea (Camellia sinensis), as an inhibitor inhibiting B-cell lymphoma through its interaction with BCl2 apoptosis regulator using in-silico approach. The research methodology involved use software tools such PyMOL, PyRx, Protein Plus, and Lepinski Rule. Through molecular docking analysis PyMOL findings this demonstrate significant interactions between Thaflavine BCl2, Binding Affinity values -5.5, -4.6, RMSD 0, 1.436, 2.292. Plus indicates presence BCl2. Additionally, Rule Five reveals that meets criteria drug compound, weight 549, 9 hydrogen bond donors, 12 acceptors, log P value -2.5, molar reactivity 119.17. provide important contributions development therapies for However, further is needed vitro vivo validation.

Language: Английский

Unveiling the anticancer potential and toxicity of Ganoderma applanatum wild mushroom derived bioactive compounds: An in vitro, in vivo and in silico evaluation DOI

Akbar Rijia,

Raman Krishnamoorthi,

Pambayan Ulagan Mahalingam

et al.

Bioorganic Chemistry, Journal Year: 2025, Volume and Issue: 156, P. 108233 - 108233

Published: Feb. 1, 2025

Language: Английский

Citations

0
Molecular Docking of Thaflavine from Camellia sinensis in Inhibiting B-Cell Lymphoma Through BCl2 Apoptosis Regulator: An In Silico Study DOI Open Access
Rahadian Zainul,

Rismi Verawati,

Herland Satriawan

et al.

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 500 - 505

Published: Aug. 15, 2023

This study aims to analyze the potential of Thaflavine, a compound found in green tea (Camellia sinensis), as an inhibitor inhibiting B-cell lymphoma through its interaction with BCl2 apoptosis regulator using in-silico approach. The research methodology involved use software tools such PyMOL, PyRx, Protein Plus, and Lepinski Rule. Through molecular docking analysis PyMOL findings this demonstrate significant interactions between Thaflavine BCl2, Binding Affinity values -5.5, -4.6, RMSD 0, 1.436, 2.292. Plus indicates presence BCl2. Additionally, Rule Five reveals that meets criteria drug compound, weight 549, 9 hydrogen bond donors, 12 acceptors, log P value -2.5, molar reactivity 119.17. provide important contributions development therapies for However, further is needed vitro vivo validation.

Language: Английский

Citations

2