scholarly journals Peptidyl-tRNA Hydrolase Screening Combined with Molecular Docking Reveals the Antibiotic Potential of Syzygium johnsonii Bark Extract

2011 ◽  
Vol 6 (10) ◽  
pp. 1934578X1100601 ◽  
Author(s):  
Sarah M. Harris ◽  
Hana McFeeters ◽  
Ifedayo V. Ogungbe ◽  
Luis R. Cruz-Vera ◽  
William N. Setzer ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Pathogenic Bacteria ◽  
Antibacterial Agents ◽  
Docking Studies ◽  
Bark Extract ◽  
Tropical Plant ◽  
Potential Source ◽  
Inhibitory Components ◽  
Essential Enzyme ◽  
Inhibitory Potential

With the rapid rise of antibiotic resistance in pathogenic bacteria, the need for new antibacterial agents is overwhelming. Herein we report the limited screening of tropical plant extracts for inhibitory activity against the essential enzyme peptidyl-tRNA hydrolase (Pth). Initial screening was conducted through an electrophoretic mobility assay and Northern blot detection. The ability of Pth to cleave the peptide-tRNA ester bond was assessed. The ethanol bark extract of Syzygium johnsonii showed strong inhibitory potential. Molecular docking studies point to Syzygium polyphenolics as the potential source of inhibition. This work is the forerunner of activity-directed isolation, purification, and structure elucidation of the inhibitory components from Syzygium johnsonii extracts and studies of compound interaction with Pth.

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 VitroEvaluation, and Molecular Docking Studies of Azetidinones and Thiazolidinones of 2-Amino-5-cyclopropyl-1,3,4-thiadiazole as Antibacterial Agents

2014 ◽  
Vol 347 (9) ◽  
pp. 668-684 ◽  
Author(s):  
Harun Patel ◽  
Lishu Mishra ◽  
Malleshappa Noolvi ◽  
Rajshekhar Karpoormath ◽  
Swaranjit Singh Cameotra
Keyword(s):  
Molecular Docking ◽  
Antibacterial Agents ◽  
Docking Studies ◽  
Molecular Docking Studies

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

scholarly journals Potential of Terminalia Arjuna as a Promising PhytoremedyAgainst COVID-19: DPPH Scavenging, Catalase Inhibition and Molecular Docking Studies

2020 ◽  
Author(s):  
Senthilkumar Arumugam ◽  
Swati Sucharita Dash ◽  
Kartik Mitra ◽  
Mukesh Doble ◽  
Sathyanarayana N.Gummadi
Keyword(s):  
Molecular Docking ◽  
Protease Inhibitor ◽  
Catalase Activity ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Docking Studies ◽  
Bark Extract ◽  
Terminalia Arjuna ◽  
Kcal Mole ◽  
Molecular Docking Studies

Stem and bark of the tree Terminalia arjuna Wight &Arn. (Combretaceae) has been documented to exhibit therapeutic properties like cardiotonic, anticancer, antiviral, antibacterial, antifungal, hypocholsteremic, hypolipidemic and anti-coagulant. In previous studies, ethanolic extract of T.arjunabark effectively inhibited catalase activity along with demonstration of DPPH radical scavenging activity. Further,four known oleananetriterpenoids type compounds viz., oleanolic acid, arjunolic acid, arjunolitin, arjunetin were isolated from ethaolic bark extract and the structures of which were elucidated using 1 H, 13C NMR, HR-ESIMS, IR and compared with literature data. Of the various compounds, Arjunetin showed significant inhibition of catalase activity as compared to the other compounds and most probably conferring antibacterial and antiviral property of the extract. In the present study, considering the currently on going viral pandemic of SARS-CoV-2 and the need for an effective antiviral agent, T.arjuna with its cardioprotective ability and inhibitory action against catalase presents to be a promising candidate against the virus. Molecular docking studies showed that arjunetin binds to protease of SARS-CoV-2 (3CL, PL andRdRP) and had higher binder energy values (3CL, -8.4 kcal/mol; PL, -7.6 kcal/mol and RdRP, -8.1 kcal/mol as compared with FDA approved protease inhibitor drugs lopinavir (3CL, -7.2 kcal/mole and PL -7.7 kcal/mole) and Remdesivir (RdRP -7.6 kcal/ mole). We conclude that there is profound evidence of arjunetin as a potential protease inhibitor of SARS-CoV-2 which is comparable to FDA approved antivirals Lopinavir and Remdesivir and can serve as a candidate for drug development against SARS-CoV-2.

scholarly journals Species of the Genus Salix L.: Biochemical Screening and Molecular Docking Approach to Potential Acetylcholinesterase Inhibitors

2019 ◽  
Vol 9 (9) ◽  
pp. 1842 ◽  
Author(s):  
Emilia Gligorić ◽  
Ružica Igić ◽  
Ljiljana Suvajdžić ◽  
Nevena Grujić-Letić
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Total Phenolics ◽  
Woody Species ◽  
Acetylcholinesterase Inhibitors ◽  
Docking Studies ◽  
Willow Species ◽  
Docking Approach ◽  
Willow Bark ◽  
Inhibitory Potential

The genus Salix includes about 500 different, mainly woody species with potentially significant medicinal values. The aim of this study was to evaluate the chemical composition and antioxidant activity of little-studied bark and leaves extracts of seven different species of the genus Salix, and to examine the acetylcholinesterase (AChE) inhibitory potential of selected compounds. The extracts were characterized by High Pressure Liquid Chromatography (HPLC). Total phenolics and flavonoids content was determined spectrophotometrically and the antioxidant activity by 2,2-diphenyl-1-picrylhydrazyl (DPPH•) and hydroxyl radical (•OH) scavenging assays. Molecular docking studies were conducted in order to elucidate the interaction and binding affinity between selected compounds of willow bark and leaves against AChE. The major components in bark and leaves of most of the species were rutin (1.26–22.09 mg/g), salicin (1.62–17.33 mg/g), chlorogenic acid (0.74–7.53 mg/g) and epicatechin (0.71–4.83 mg/g). The latter three compounds demonstrated significant inhibitory potential against AChE in docking studies. All extracts exhibited notable antioxidant activity as scavengers of both DPPH• and •OH. The obtained results indicate that willow species other than those in commercial use, and not only bark, but willow leaves as well, could be utilized as sources of valuable phytocompounds with antioxidant and neuroprotective properties.

Sign in / Sign up

Export Citation Format

Share Document