ER and PGR Targeting Ability of Phytocompounds Derived from Centella asiatica and Andrographis paniculata: An In-silico Approach

2022 ◽  
pp. 100541
Author(s):  
Geeta Swargiary ◽  
Shalini Mani
Keyword(s):  
In Silico ◽  
Centella Asiatica ◽  
Andrographis Paniculata ◽  
Targeting Ability

In silico and in vitro Study on the Inhibition of FtsZ Protein of Staphylococcus aureus by Active Compounds from Andrographis paniculata

2021 ◽  
Vol 11 (2) ◽  
pp. 116-128
Author(s):  
Jayaraman Selvaraj ◽  
Veeraraghavan Vishnu Priya ◽  
Periyasamy Vijayalakshmi ◽  
Rajagopal Ponnulakshmi
Keyword(s):  
Staphylococcus Aureus ◽  
In Silico ◽  
In Vitro Study ◽  
Andrographis Paniculata ◽  
Vitro Study ◽  
Active Compounds ◽  
Ftsz Protein

scholarly journals Andrographis paniculata (Burm. F.) Wall. Ex Nees, Andrographolide, and Andrographolide Analogues as SARS-CoV-2 Antivirals? A Rapid Review

2021 ◽  
Vol 16 (5) ◽  
pp. 1934578X2110166
Author(s):  
Xin Yi Lim ◽  
Janice Sue Wen Chan ◽  
Terence Yew Chin Tan ◽  
Bee Ping Teh ◽  
Mohd Ridzuan Mohd Abd Razak ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
In Silico ◽  
Rna Binding ◽  
Symptomatic Relief ◽  
Andrographis Paniculata ◽  
Spike Protein ◽  
Rapid Review ◽  
In Silico Studies

Drug repurposing is commonly employed in the search for potential therapeutic agents. Andrographis paniculata, a medicinal plant commonly used for symptomatic relief of the common cold, and its phytoconstituent andrographolide, have been repeatedly identified as potential antivirals against SARS-CoV-2. In light of new evidence emerging since the onset of the COVID-19 pandemic, this rapid review was conducted to identify and evaluate the current SARS-CoV-2 antiviral evidence for A. paniculata, andrographolide, and andrographolide analogs. A systematic search and screen strategy of electronic databases and gray literature was undertaken to identify relevant primary articles. One target-based in vitro study reported the 3CLpro inhibitory activity of andrographolide as being no better than disulfiram. Another Vero cell-based study reported potential SARS-CoV-2 inhibitory activity for both andrographolide and A. paniculata extract. Eleven in silico studies predicted the binding of andrographolide and its analogs to several key antiviral targets of SARS-CoV-2 including the spike protein-ACE-2 receptor complex, spike protein, ACE-2 receptor, RdRp, 3CLpro, PLpro, and N-protein RNA-binding domain. In conclusion, in silico and in vitro studies collectively suggest multi-pathway targeting SARS-CoV-2 antiviral properties of andrographolide and its analogs, but in vivo data are needed to support these predictions.

In vitro modulatory effects of Andrographis paniculata, Centella asiatica and Orthosiphon stamineus on cytochrome P450 2C19 (CYP2C19)

2011 ◽  
Vol 133 (2) ◽  
pp. 881-887 ◽  
Author(s):  
Yan Pan ◽  
Badrul Amini Abd-Rashid ◽  
Zakiah Ismail ◽  
Rusli Ismail ◽  
Joon Wah Mak ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Centella Asiatica ◽  
Andrographis Paniculata ◽  
Orthosiphon Stamineus ◽  
Cytochrome P450 2C19

scholarly journals In Silico Study of Centella asiatica Active Compound as BACE1 Inhibitor in Alzheimer’s Disease

JSMARTech ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 36-40
Author(s):  
Nala Mawaddani ◽  
◽  
Natalia RK Wibowo ◽  
Qumaira HH Nadhira ◽  
Ratih Ayu Pramifta ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Active Compound ◽  
In Silico ◽  
Centella Asiatica ◽  
Bace1 Inhibitor ◽  
In Silico Study

scholarly journals Activity of phytochemical constituents of Curcuma longa (turmeric) and Andrographis paniculata against coronavirus (COVID-19): an in silico approach

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Kalirajan Rajagopal ◽  
Potlapati Varakumar ◽  
Aparma Baliwada ◽  
Gowramma Byran
Keyword(s):  
Active Site ◽  
In Silico ◽  
Chemical Constituents ◽  
Curcuma Longa ◽  
Andrographis Paniculata ◽  
Significant Activity ◽  
Binding Modes ◽  
Main Protease ◽  
In Silico Admet ◽  
In Silico Studies

Abstract Background In early 2020, many scientists are rushing to discover novel drugs and vaccines against the coronavirus, and treatments for COVID-19, because coronavirus disease 2019 (COVID-19), a life-threatening viral disease, affected first in China and quickly spread throughout the world. In this article, in silico studies have been performed to explore the binding modes of chemical constituents for natural remedies like Curcuma longa (turmeric) and Andrographis paniculata against COVID-19 (PDB ID 5R82) targeting coronavirus using Schrodinger suit 2019-4. The molecular docking studies are performed by the Glide module, in silico ADMET screening was performed by the QikProp module, and binding energy of ligands was calculated using the Prime MM-GB/SA module. Results The chemical constituents from turmeric like cyclocurcumin and curcumin and from Andrographis paniculata like andrographolide and dihydroxy dimethoxy flavone are significantly binding with the active site of SARS CoV-2 main protease with Glide score more than − 6 when compared to the currently used drugs hydroxychloroquine (− 5.47) and nelfinavir (− 5.93). When compared to remdesivir (− 6.38), cyclocurcumin from turmeric is significantly more active. The docking results of the compounds exhibited similar mode of interactions with SARS CoV-2. Main protease and the residues THR24, THR25, THR26, LEU27, SER46, MET49, HIE41, GLN189, ARG188, ASP187, MET165, HIE164, PHE181, and THR54 play a crucial role in binding with ligands. Conclusion Based on in silico investigations, the chemical constituents from turmeric like cyclocurcumin and curcumin and from Andrographis paniculata like andrographolide and dihydroxy dimethoxy flavone, significantly binding with the active site of SARS CoV-2 main protease, may produce significant activity and be useful for further development.

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