Recovery of the P53 tumour suppressor pathway via small molecule inhibitors of onco-protein MDM2 highlights the critical role of computational methodologies in targeted cancer therapies. Molecular docking programs, in particular, have become essential during computer-aided drug design by providing a quantitative ranking of predicted binding geometries of small ligands to proteins based on binding free energy. In this study, we found improved ligand binding mode predictions of small medicinal compounds to MDM2 based on RMSD values using AutoDock and AutoDock Vina employing protein binding site flexibility. Additional analysis suggests a data mining protocol using linear regression can isolate the particular flexible bonds necessary for futur...
A promising protein target for computational drug development, the human cluster of differentiation ...
Extracting “high ranking” or “prime protein targets” (PPTs) as potent MRSA drug candidates from a gi...
Drugs exerts inhibitory action on specific target proteins or enzymes in cells through binding to th...
Recovery of the P53 tumor suppressor pathway via small molecule inhibitors of onco-protein MDM2 high...
Objective: To identify the p53 binding pocket as well as active residues in mdm2 protein, and search...
Computer-aided drug design is a valuable and effective complement to conventional experimental drug ...
The p53-binding domains of Mdm2 and Mdmx, two negative regulators of the tumor suppressor p53, are v...
The scope of this work focuses on computationally modeling compounds with protein structures. While...
Molecular docking is widely used to obtain binding modes and binding affinities of a molecule to a g...
International audienceProtein-protein interactions (PPIs) may represent one of the next major classe...
Small molecule drugs bind to a pocket in disease causing target proteins based on complementarity in...
The regulation of the p53 tumor suppressor pathway is critically dependent on the activity of Murine...
The mouse double minute 2 (MDM2) protein acts as a negative regulator of the p53 tumor suppressor. I...
The p53 protein, also called guardian of the genome, plays a critical role in the cell cycle regulat...
The p53-MDM2 interaction is a well-known protein-protein contact, and its disruption is a key event ...
A promising protein target for computational drug development, the human cluster of differentiation ...
Extracting “high ranking” or “prime protein targets” (PPTs) as potent MRSA drug candidates from a gi...
Drugs exerts inhibitory action on specific target proteins or enzymes in cells through binding to th...
Recovery of the P53 tumor suppressor pathway via small molecule inhibitors of onco-protein MDM2 high...
Objective: To identify the p53 binding pocket as well as active residues in mdm2 protein, and search...
Computer-aided drug design is a valuable and effective complement to conventional experimental drug ...
The p53-binding domains of Mdm2 and Mdmx, two negative regulators of the tumor suppressor p53, are v...
The scope of this work focuses on computationally modeling compounds with protein structures. While...
Molecular docking is widely used to obtain binding modes and binding affinities of a molecule to a g...
International audienceProtein-protein interactions (PPIs) may represent one of the next major classe...
Small molecule drugs bind to a pocket in disease causing target proteins based on complementarity in...
The regulation of the p53 tumor suppressor pathway is critically dependent on the activity of Murine...
The mouse double minute 2 (MDM2) protein acts as a negative regulator of the p53 tumor suppressor. I...
The p53 protein, also called guardian of the genome, plays a critical role in the cell cycle regulat...
The p53-MDM2 interaction is a well-known protein-protein contact, and its disruption is a key event ...
A promising protein target for computational drug development, the human cluster of differentiation ...
Extracting “high ranking” or “prime protein targets” (PPTs) as potent MRSA drug candidates from a gi...
Drugs exerts inhibitory action on specific target proteins or enzymes in cells through binding to th...