Molecular docking analysis of antimicrobial peptides with the CXCL1 protein target for colorectal cancer

Antimicrobial peptides (AMPs) play a prominent role in drug discovery due to the rapid increase in drug resistant infections. Hence, we report the molecular docking analysis of antimicrobial peptides MREEKKERKRD and MVQGAKRGGRLHRV with the target protein CXCL1 in the context of colorectal cancer for further consideration in drug discovery.

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Molecular docking analysis of compounds from Justica adhatoda L with the MUC1 oncoprotein

Bioinformation ◽

10.6026/97320630016937 ◽

2020 ◽

Vol 16 (11) ◽

pp. 937-941

Author(s):

Ramajayam Govindan ◽

Keyword(s):

Molecular Docking ◽

Drug Discovery ◽

Docking Analysis ◽

Molecular Binding ◽

Different Types ◽

Molecular Docking Analysis

The MUC1 oncoprotein is known to be linked with different types of cancer. Therefore, it is of interest to document the molecular docking analysis of compounds from Justica adhatoda L with the MUC1 oncoprotein. We report the structure based molecular binding features compounds such as amrinone, ethambutol, pyrazinamide and vasicoline the MUC1 oncoprotein for further consideration in drug discovery.

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Cruzain Inhibition by Terpenoids: A Molecular Docking Analysis

Natural Product Communications ◽

10.1177/1934578x0800300607 ◽

2008 ◽

Vol 3 (6) ◽

pp. 1934578X0800300 ◽

Cited By ~ 3

Author(s):

Ifedayo V. Ogungbe ◽

William N. Setzer

Keyword(s):

Molecular Docking ◽

Active Site ◽

Binding Energies ◽

Hydrophobic Pocket ◽

Docking Analysis ◽

Protein Target ◽

Hydrophobic Compounds ◽

Sesquiterpene Hydrocarbons ◽

Inhibitory Activities ◽

Molecular Docking Analysis

A molecular docking analysis has been carried out using monoterpene and sesquiterpene hydrocarbons and triterpenoids that have shown enzyme inhibitory activity as ligands for the cysteine protease cruzain. The binding energies of the docked ligands roughly correlate with their inhibitory activities. The orientations of the docked ligands are consistent with a mechanism whereby these hydrophobic compounds dock into a hydrophobic pocket near the active site, thereby blocking binding of the protein target to the protease.

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Molecular Docking Analysis of Novel Alpha-Glucosidase enzyme Inhibitors from Siddha Formulation Pungampoo Chooranam using Computer aided drug discovery

International Journal of Current Research in Chemistry and Pharmaceutical Sciences ◽

10.22192/ijcrcps.2017.04.10.004 ◽

2017 ◽

pp. 18-26

Author(s):

Dr. J. Nisha ◽

Keyword(s):

Molecular Docking ◽

Drug Discovery ◽

Enzyme Inhibitors ◽

Docking Analysis ◽

Computer Aided ◽

Alpha Glucosidase ◽

Molecular Docking Analysis

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Molecular docking analysis of beta-catenin with compounds derived from Lycopersicon esculentum

Bioinformation ◽

10.6026/97320630016801 ◽

2020 ◽

Vol 16 (11) ◽

pp. 801-806

Author(s):

Jayaraman Selvaraj ◽

Keyword(s):

Colorectal Cancer ◽

Molecular Docking ◽

Lycopersicon Esculentum ◽

Chlorogenic Acid ◽

Gallic Acid ◽

Vanillic Acid ◽

Protocatechuic Acid ◽

Beta Catenin ◽

Docking Analysis ◽

Molecular Docking Analysis

Beta-catenin is linked with colorectal cancer (CRC). Therefore, it is of interest to design and develop novel compounds to combat CRC. Hence, we document compounds (chlorogenic acid, gallic acid, protocatechuic acid, quercetin and vanillic acid) from Lycopersicon esculentum with optimal binding features for further consideration.

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Molecular docking analysis of SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) with compounds from Plectranthus amboinicus

Bioinformation ◽

10.6026/97320630017167 ◽

2021 ◽

Vol 17 (1) ◽

pp. 167-170

Author(s):

Jayaraman Selvaraj ◽

Keyword(s):

Molecular Docking ◽

Rna Polymerase ◽

Rosmarinic Acid ◽

Target Protein ◽

Coumaric Acid ◽

Rna Dependent Rna Polymerase ◽

Docking Analysis ◽

Salvianolic Acid ◽

Plectranthus Amboinicus ◽

Molecular Docking Analysis

It is of interest to document the moelcular docking analysis of SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) with compounds from Plectranthus amboinicus. Hence, we report the binding features of rutin, Luteolin, Salvianolic acid A, Rosmarinic acid and p-Coumaric acid with the target protein SARS-CoV-2 linked RNA dependent RNA polymerase (RdRp) for further consideration.

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