Interaction of Masilinic Acid from Clove Plant (Syzygium aromaticum) with CD81 Antigen in Inhibiting HIV Virus Regulation In Silico

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 484 - 488

Published: Aug. 15, 2023

This research explores the interaction of Masilinic Acid from clove plant (Syzygium aromaticum) with CD81 antigen to inhibit HIV virus regulation in silico. Using computational methods such as Pymol, Pyrex, and Protein Plus, we demonstrate that can significantly interact antigen. The obtained data shows binding affinities -6.4, -6.2, -5.7, RMSD values 0, 1.885, 1.952. Further detailed analysis Plus strengthens these findings, providing evidence a strong between study also includes testing Lepinski Rule Five assess potential drug candidate, results indicating mass 472, three hydrogen bond donors, four acceptors, log P value 6.2, molar reactivity 134. These indicate has an inhibitor CD81-HIV interaction, which be utilized effective antiviral strategy. Key words: Acid, Clove plant, antigen, virus, In

Language: Английский

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Effects of emulsified and non-emulsified palm tocotrienol on bone and joint health in ovariectomised rats with monosodium iodoacetate-induced osteoarthritis

Biomedicine & Pharmacotherapy, Journal Year: 2023, Volume and Issue: 170, P. 115998 - 115998

Published: Dec. 12, 2023

Postmenopausal women are susceptible to osteoporosis and osteoarthritis. Tocotrienol, a bone-protective nutraceutical, is reported prevent osteoarthritis in male rats. However, its efficacy on joint health oestrogen deficiency has not been validated. Besides, data the use of emulsification systems enhancing bioavailability protective effects tocotrienol limited. Ovariectomised adult female Sprague-Dawley rats (3 months old) were treated with refined olive oil, emulsified (EPT, 100 mg/kg/day 25% vitamin E content), non-emulsified palm (NEPT, 50% content) calcium carbonate (1% w/v drinking water) plus glucosamine sulphate (250 mg/kg/day) for 10 weeks. Osteoarthritis was induced monosodium iodoacetate four weeks after ovariectomy. Baseline control sacrificed upon receipt, while sham group ovariectomised oil. EPT NEPT prevented femoral metaphyseal subchondral bone volume decline caused by decreased trabecular separation compared negative control. preserved stiffness Young's Modulus at mid-shaft Circulating RANKL reduced post-treatment group. Joint width all treatment groups vs The group's grip strength significantly improved over also cartilage histology based several Mankin's subscores. performed as effectively preventing despite containing less content. This study justifies clinical trials postmenopausal both conditions.

Language: Английский

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In Silico Study on the Potential of Guaiacol Extract from Green Tea (Camellia sinensis) as a Stimulant for Carbanoic Anhydrase II in Renal Tubular Acidosis

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 494 - 499

Published: Aug. 15, 2023

This study explores the potential of Guaiacol, a green tea extract from Camellia sinensis, as stimulant in renal tubular acidosis through in-silico investigation on Carbanoic Anhydrase II enzyme. Utilizing comprehensive computational tools including PyMOL, PyRx, Protein Plus, and Lipinski's Rule Five, detailed examination molecular structure its interactions with target enzyme was conducted. The results Plus revealed between Guaiacol II. Quantitative parameters were determined Binding Affinity values -5, -4.7, -4.5, along RMSD 0, 0.956, 1.412. Five employed to evaluate compound's drug-like properties, findings indicating weight 124, one hydrogen bond donor, two acceptors, log P 1.4, molar reactivity 34.65. Overall, these suggest that holds promising therapeutic treatment acidosis.

Language: Английский

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Molecular Docking of Thaflavine from Camellia sinensis in Inhibiting B-Cell Lymphoma Through BCl2 Apoptosis Regulator: An In Silico Study

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

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In Silico Study of Rhamnocitrin Extract from Clove Syzygium Aromaricum in Inhibiting Adenosine A1 Adenylate Cyclase Interaction

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 512 - 517

Published: Aug. 15, 2023

This study aims to analyze the potential of Rhamnocitrin, a compound found in clove extract (Syzygium aromaticum), as an inhibitor Adenylate Cyclase through in-silico approach. The research method involves use software such Pymol, PyRx, Protein Plus, and Lipinski Rule for molecular interaction analysis physicochemical characterization Rhamnocitrin. results show that Rhamnocitrin has significant affinity towards Adenosine A1 with Binding Affinity values -6.1, -5.8, -5.7. RMSD indicates good stability formed protein-ligand complexes, 0, 3.129, 3.696. Analysis using Plus reveals between A1, while lipinski shows characteristics meet important criteria, mass 300, 3 hydrogen bond donors, 6 acceptors, log P 2.6, molar reactivity 77.27. These findings provide new insights into development therapies involving inhibitors Cyclase, further is needed validate their effectiveness safety.

Language: Английский

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In Silico Study on the Inhibition of Sitogluside from Clove Plant (Syzygium aromaticum) on Interleukin 2 in B and T Cell Proliferation

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 575 - 580

Published: Aug. 15, 2023

This research discusses an in-silico study of sitogluside found in the clove plant (Syzygium aromaticum) as a potential inhibitor B and T cell proliferation through interaction with Interleukin-2. utilizes methods such Swiss Target Prediction, Pymol, Pyrex, Protein Plus, Lipinski's Rule to predict biological activity pharmacokinetic characteristics sitogluside. From docking simulation results, exhibited strong interactions interleukin-2 RMSD values 0, 1.637, 2.299, Binding Affinities -5.7, -5.5, indicating its effectiveness inhibitor. In addition, fulfills rule molecular mass 520, 4 hydrogen bond donors acceptors, log P value 2.3, molar reactivity 133, high for good bioavailability systems. These results suggest that from holds new therapy inhibiting proliferation, however further is needed validate these findings explore clinical treatments.

Language: Английский

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β-Tocotrienol Decreases PDGF-BB-Induced Proliferation and Migration of Human Airway Smooth Muscle Cells by Inhibiting RhoA and Reducing ROS Production

Pharmaceuticals, Journal Year: 2024, Volume and Issue: 17(6), P. 712 - 712

Published: May 30, 2024

Background: Tocotrienols exhibit antioxidant and anti-inflammatory activities. RhoA, a small GTPase protein, plays crucial role in regulating contractility airway smooth muscle (ASM). Previous studies have demonstrated that γ-tocotrienols reduce ASM proliferation migration by inhibiting the activation of RhoA. In this present study, we investigate effect another vitamin E isoform, β-tocotrienols, on human cell stimulated platelet-derived growth factor-BB (PDGF-BB). Methods: Human cells were pre-treated with β-tocotrienol prior to being PDGF-BB induce migration. The PDGF-BB-induced assessed using colorimetric transwell assays. intracellular ROS assay kit was employed quantify reactive oxygen species (ROS) cells. Additionally, explored β-tocotrienols signaling pathways involved Results: inhibited reducing RhoA production. However, did not affect associated cyclin D1, phosphorylated Akt1, ERK1/2. Conclusions: conclusion, inhibition production β-tocotrienol, resulting reduction migration, suggests its potential as treatment for asthma remodeling.

Language: Английский

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Anti-Skin Aging Potential, Antibacterial Activity, Inhibition of Single-Stranded DNA-Binding Protein, and Cytotoxic Effects of Acetone-Extracted Passiflora edulis (Tainung No. 1) Rind Extract on Oral Carcinoma Cells

Plants, Journal Year: 2024, Volume and Issue: 13(16), P. 2194 - 2194

Published: Aug. 8, 2024

The passion fruit,

Language: Английский

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Interaction of Cynaroside from Orthosiphon Aristatus Plant Extract on TNF Alpha as a Stimulant in Malaria and Asthma

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 581 - 586

Published: Aug. 15, 2023

This research aims to investigate the interaction between cynaroside, a natural compound found in Orthosiphon aristatus plant extract, with TNF Alpha as stimulant context of malaria and asthma. The method involved an in-silico approach using software such Pymol, PyRx, Protein Plus, Lepinski Rule. results study showed that cynaroside has significant Alpha, indicated by high Binding Affinity values -9.6, -9.3, -9.2. Analysis Plus confirmed Alpha. Additionally, evaluation Rule Five revealed physicochemical characteristics suitable potential drug compound, mass 448, hydrogen bond donors 7, acceptors 11, log p -0.401, molar reactivity 105.2. These findings provide deeper understanding regulating immune response asthma through its can serve important basis for further development more targeted effective therapies both these diseases

Language: Английский

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Hepatitis E Inhibited by Rosmarinic Acid Extract from Clove Plant (Syzygium Aromaricum) through Computational Analysis

Pharmacognosy Journal, Journal Year: 2023, Volume and Issue: 15(4), P. 518 - 523

Published: Aug. 15, 2023

This study aims to evaluate the potential of Rosmarinic Acid as an inhibitor against Hepatitis E by interacting with active site Tyrosine FYN protein. Computational approaches were employed predict molecular interactions between and FYN. The research methodology involved use software such Pymol, Pyrex, Protein Plus, Lepinski Rule. Docking analysis was conducted using Pymol obtain information about binding energy results showed that exhibited a Binding Affinity -8.3, -8, -7.9, indicating strong affinity towards target Additionally, Root Mean Square Deviation (RMSD) values 0, 15.905, 17.014 used assess stability formed protein-ligand complex. Analysis Plus revealed Furthermore, Rule examine physicochemical properties indicated molecule had mass 360, 5 hydrogen bond donors, 8 acceptors, log P value 1.76, molar reactivity 89.8. These findings highlight through its interaction protein, providing basis for development new therapies in treatment this disease.

Language: Английский

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