Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

Ramnath, Madhusudhanan Gogul; Thirugnanasampandan, Ramaraj; Nagasundaram, Nagarajan; Bhuvaneswari, Gunasekaran

doi:10.2174/1573409914666180321111925

Cited by 8 publications

(3 citation statements)

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“…The selection of docking results in this study was based on results that showed complete protein binding and density. X-Ray (RMSD) detected a value of 2 Å (Ramnath et al 2018).…”

Section: Discussionmentioning

confidence: 99%

Screening and Purification of NanB Sialidase from Pasteurella Multocida with Activity in Hydrolyzing Sialic Acid Neu5Acα(2-6)Gal

Nugroho

Kurnia

Tarigan

et al. 2021

Preprint

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Study on sialidases as antiviral agents has been widely performed, but many types of sialidase had not been tested for their antiviral activity. One of such sialidase is the NanB sialidase of Pasteurella multocida, which has never been isolated for further study. In this study, the activity of NanB sialidase was investigated in silico by docking the NanB sialidase of Pasteurella multocida to the Neu5Acα(2-6)Gal ligand. Additionally, some local isolates of Pasteurella multocida, which had the NanB gene were screened, and the proteins were isolated for further testing regarding their activity in hydrolyzing Neu5Acα(2-6)Gal. In silico studies showed that the NanB sialidase possesses an exceptional affinity towards forming a protein-ligand complex with Neu5Acα(2-6)Gal. This was further confirmed by showing that a dose of 0.258 U/ml (100%) NanB sialidase of Pasteurella multocida B018 can hydrolyze up to 44.28% of Neu5Acα(2-6)Gal in chicken red blood cells and 81.95% in rabbit red blood cells. This study suggested that the NanB sialidase of Pasteurella multocida B018 has a potent antiviral activity that can inhibit avian influenza virus infection.

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“…The selection of docking results in this study was based on results that showed complete protein binding and density. X-Ray (RMSD) detected a value of 2 Å (Ramnath et al 2018).…”

Section: Discussionmentioning

confidence: 99%

Screening and Purification of NanB Sialidase from Pasteurella Multocida with Activity in Hydrolyzing Sialic Acid Neu5Acα(2-6)Gal

Nugroho

Kurnia

Tarigan

et al. 2021

Preprint

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“…AA has strong binding efficiency with the AchE and HDAC3 receptors, as indicated by Ligplot analysis and root mean square deviation analysis. In vitro tests with HeLa cells showed that abietic acid induces apoptosis in a concentration-dependent manner, suggesting its potential as a promising terpenoid for treating Alzheimer’s disease and cervical cancer ( Ramnath et al, 2018 ).…”

Section: Anticancer Activities Of Aamentioning

confidence: 99%

Anticancer activities of natural abietic acid

Ahmad,

Tian,

Tang

et al. 2024

Front. Pharmacol.

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Cancer is the main cause of death in the world. There are several therapies that are in practice for cancer cure including radiotherapy, chemotherapy, and surgery. Among the chemotherapies, natural products are considered comparable safe, easily available and cost effective. Approximately 60% of cancer approved FDA drugs are natural products including vinblastine, doxorubicin, and paclitaxel. These natural products have complex structures due to which they work against cancer through different molecular pathways, STAT3, NF-kB, PI3K/AKT/mTOR, cell cycle arrest, mitochondrial dependent pathway, extrinsic apoptosis pathway, autophagy, mitophagy and ferroptosis. AA is a natural abietane diterpenoid compound from Pinus palustris and Pimenta racemose var. grissea with different pharmacological activities including anti-inflammatory, anti-convulsant, anti-obesity and anti-allergic. Recently it has been reported with its anticancer activities through different molecular mechanisms including NF-kB, PI3K/AKT, call cycle arrest at G0/G1 phase, mitochondrial dependent pathway, extrinsic apoptosis pathway, AMPK pathway and ferroptosis pathways. The literature survey reveals that there is no review on AA anticancer molecular mechanisms, therefore in current review, we summarize the anticancer molecular mechanisms of AA.

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“…Roy et al explored the effect of curcumin on SiHa cells and reported that both HDAC1/2 and HPV inhibition resulted in cell cycle arrest at the G1/S phase by alteration of cell cycle regulatory proteins [ 127 ], while Ramnath et al revealed that the terpenoid abietic acid was docked with HDAC3 receptors in HeLa cells, hence inducing apoptosis in a concentration-dependent manner [ 128 ].…”

Section: Phytopharmaceuticalsmentioning

confidence: 99%

The Emerging Role of Histone Deacetylase Inhibitors in Cervical Cancer Therapy

Psilopatis

Garmpis

Garmpi

et al. 2023

Cancers

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Cervical carcinoma is one of the most common cancers among women globally. Histone deacetylase inhibitors (HDACIs) constitute anticancer drugs that, by increasing the histone acetylation level in various cell types, induce differentiation, cell cycle arrest, and apoptosis. The aim of the current review is to study the role of HDACIs in the treatment of cervical cancer. A literature review was conducted using the MEDLINE and LIVIVO databases with a view to identifying relevant studies. By employing the search terms “histone deacetylase” and “cervical cancer”, we managed to identify 95 studies published between 2001 and 2023. The present work embodies the most up-to-date, comprehensive review of the literature centering on the particular role of HDACIs as treatment agents for cervical cancer. Both well-established and novel HDACIs seem to represent modern, efficacious anticancer drugs, which, alone or in combination with other treatments, may successfully inhibit cervical cancer cell growth, induce cell cycle arrest, and provoke apoptosis. In summary, histone deacetylases seem to represent promising future treatment targets in cervical cancer.

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Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

Abstract: In silico and in vitro studies suggest that abietic acid could be a promising terpenoid for treating Alzheimer's disease and cervical cancer.

Cited by 8 publications

References 0 publications

Screening and Purification of NanB Sialidase from Pasteurella Multocida with Activity in Hydrolyzing Sialic Acid Neu5Acα(2-6)Gal

Screening and Purification of NanB Sialidase from Pasteurella Multocida with Activity in Hydrolyzing Sialic Acid Neu5Acα(2-6)Gal

Anticancer activities of natural abietic acid

The Emerging Role of Histone Deacetylase Inhibitors in Cervical Cancer Therapy

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