Quorum Sensing Inhibitory Potential and Molecular Docking Studies of Phyllanthus emblica Phytochemicals Against Pseudomonas aeruginosa

2021 ◽  
Author(s):  
Sharmila Baburam ◽  
Srinivasan Ramasamy ◽  
Gnanendra Shanmugam ◽  
Maghimaa Mathanmohun
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Molecular Docking ◽  
Quorum Sensing ◽  
Docking Studies ◽  
Phyllanthus Emblica ◽  
Molecular Docking Studies ◽  
Inhibitory Potential

Quorum sensing inhibitory potential and molecular docking studies of sesquiterpene lactones from Vernonia blumeoides

2016 ◽  
Vol 126 ◽  
pp. 23-33 ◽  
Author(s):  
Abubakar Babando Aliyu ◽  
Neil Anthony Koorbanally ◽  
Brenda Moodley ◽  
Parvesh Singh ◽  
Hafizah Yousuf Chenia
Keyword(s):  
Molecular Docking ◽  
Quorum Sensing ◽  
Sesquiterpene Lactones ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Inhibitory Potential

Antibiofilm, Anti-Quorum Sensing Activities, and Molecular Docking Studies of Seriphidium quettense Essential Oil

2021 ◽  
Author(s):  
Rubina Naz Qaisrani ◽  
Shah Iram Niaz ◽  
Muhammad Akram ◽  
Abdul Rafey ◽  
Amanullah ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Quorum Sensing ◽  
Essential Oil ◽  
Docking Studies ◽  
Molecular Docking Studies

Garcixanthone D, a New Xanthone, and Other Xanthone Derivatives FromGarcinia mangostanaPericarps: Their α‐Amylase Inhibitory Potential and Molecular Docking Studies

2019 ◽  
Vol 71 (7-8) ◽  
pp. 1800354 ◽  
Author(s):  
Sabrin Ragab Mohamed Ibrahim ◽  
Gamal Abdallah Mohamed ◽  
Maan Talaat Abdullah Khayat ◽  
Sahar Ahmed ◽  
Hany Abo‐Haded
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Xanthone Derivatives ◽  
Inhibitory Potential

Synthesis, in vitro β -glucuronidase inhibitory potential and molecular docking studies of quinolines

2017 ◽  
Vol 139 ◽  
pp. 849-864 ◽  
Author(s):  
Bilquees Bano ◽  
Arshia ◽  
Khalid Mohammed Khan ◽  
Kanwal ◽  
Bibi Fatima ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Inhibitory Potential

Molecular Docking Studies of Bioactive Nicotiflorin against 6W63 Novel Coronavirus 2019 (COVID-19)

2020 ◽  
Vol 23 ◽  
Author(s):  
Raghvendra Dubey ◽  
Kushagra Dubey
Keyword(s):  
Molecular Docking ◽  
Data Bank ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Molegro Virtual Docker ◽  
Main Protease ◽  
Docking Approach ◽  
Inhibitory Potential ◽  
Efficacy Parameters ◽  
Novel Coronavirus

Background: COVID-19 which is known as the novel coronavirus was reported in December 2019 in Wuhan city, China and many of the patients have been contaminated by environmental contamination and transmission from one human to another. Objective: The objective of work is to establish the inhibitory potential of nicotiflorin, a Kaempferol 3-O-rutinoside flavonoid, against the deadly coronavirus (COVID-19) 6W63 (main protease 3Clpro protein) , using molecular docking approach. Method: The Molegro Virtual Docker software (MVD) with a 30 Å grid resolution was used. The structure was drawn by Chem 3D software and energy minimization was done by the MM2 force field. The protein 6W63 was downloaded from the protein data bank. Molegro modeller was used for score calculations. Result: The molecular docking studies were carried out on nicotiflorin and standard inhibitor X77, where standard inhibitor was observed in a co-crystallized state with main protease 3Clpro protein 6W63. The MolDock score, Rerank Sore and H Bond score of nicotiflorin and standard inhibitor X77 was observed as -173.058, -127.302, -21.9398 and -156.913,- 121.296,-5.7369, respectively. Conclusion: Molecular docking studies have confirmed that the affinity of flavonoid nicotiflorin with the amino acids of the viral protein 6W63 was relatively more than the standard X77. For the effective treatment of novel coronavirus COVID-19, the effectiveness of the identified flavonoid nicotiflorin can further be evaluated for safety and efficacy parameters at both preclinical and clinical stages.

Carbazole‐Linked 1,2,3‐Triazoles: In Vitro β ‐Glucuronidase Inhibitory Potential, Kinetics, and Molecular Docking Studies

2019 ◽  
Vol 4 (20) ◽  
pp. 6181-6189 ◽  
Author(s):  
Nimra Naveed Shaikh ◽  
Shazia Iqbal ◽  
Naima Syed ◽  
Maria A. Khan ◽  
Syed Tarique Moin ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Inhibitory Potential

In vitro cholinesterase enzymes inhibitory potential and in silico molecular docking studies of biogenic metal oxides nanoparticles

2018 ◽  
Vol 48 (9) ◽  
pp. 441-448 ◽  
Author(s):  
Ali Talha Khalil ◽  
Muhammad Ayaz ◽  
Muhammad Ovais ◽  
Abdul Wadood ◽  
Muhammad Ali ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Metal Oxides ◽  
In Silico ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Inhibitory Potential ◽  
In Silico Molecular Docking

scholarly journals Quorum Sensing Inhibitory Potential and Molecular Docking Studies of Phyllanthus Emblica Phytochemicals Against Pseudomonas Aeruginosae

2021 ◽  
Author(s):  
Sharmila Baburam ◽  
Srinivasan Ramasamy ◽  
Gnanendra Shanmugam ◽  
Maghimaa Mathanmohun
Keyword(s):  
Quorum Sensing ◽  
Docking Studies ◽  
Chromobacterium Violaceum ◽  
Gram Negative Bacteria ◽  
Phyllanthus Emblica ◽  
Signaling System ◽  
Homoserine Lactones ◽  
Bio Monitoring ◽  
Inhibitory Potential ◽  
Anti Fungal

Abstract Phyllanthus emblica a traditional medicinal plant that is endowed with curative properties including anti-bacterial, anti-fungal, anti-viral, and analgesic properties. Bacteria make use of cell–cell signaling system known as Quorum sensing (QS) and respond to their own population. In most gram-negative bacteria, the transcriptional regulators belonging to the Lux R protein play a crucial role in the QS mechanism by detecting the presence of signaling molecules known as N-acyl homoserine lactones (AHLs). In this present work, the anti-quorum sensing activity of Phyllanthus emblica was evaluated against Pseudomonas aeruginosa. Anti-quorum sensing efficacy of Phyllanthus emblica was estimated with reference to QS Bio-monitoring strain Chromobacterium violaceum. The binding efficacy of the phytochemicals of Phyllanthus emblica against CviR Protein from Chromobacterium violaceum and LasR Protein from Phyllanthus emblica were studied.

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