Unknown

Dataset Information

0

A structural model of the anaphase promoting complex co-activator (Cdh1) and in silico design of inhibitory compounds.

ABSTRACT: Anaphase promoting complex (APC) controls cell cycle and chromosome segregation. The APC activation occurs after binding of co-activators, cdh1 and cdc20. Cdh1 plays a role in cancer pathogenesis and is known as a potential drug target. The main aim of this study was prediction of 3D structure of cdh1 and designing the inhibitory compounds based on the structural model. First, 3D structure of cdh1 was predicted by means of homology modelling and molecular dynamics tools, MODELLER and Gromacs package, respectively. Then, inhibitory compounds were designed using virtual screening and molecular docking by means AutoDock package. The overall structure of cdh1 is propeller like and each DW40 repeat contains four anti-parallel beta-sheets. Moreover, binding pocket of the inhibitory compounds was determined. The results might be helpful in finding a suitable cdh1 inhibitor for the treatment of cancer.

SUBMITTER: Rahimi H 

PROVIDER: S-EPMC4578213 | biostudies-literature | 2015 Jan-Feb

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

A structural model of the anaphase promoting complex co-activator (Cdh1) and in silico design of inhibitory compounds.

Rahimi H H   Negahdari B B   Shokrgozar M A MA   Madadkar-Sobhani A A   Mahdian R R   Foroumadi A A   Amin M Kafshdouzi MK   Karimipoor M M  

Research in pharmaceutical sciences 20150101 1

Anaphase promoting complex (APC) controls cell cycle and chromosome segregation. The APC activation occurs after binding of co-activators, cdh1 and cdc20. Cdh1 plays a role in cancer pathogenesis and is known as a potential drug target. The main aim of this study was prediction of 3D structure of cdh1 and designing the inhibitory compounds based on the structural model. First, 3D structure of cdh1 was predicted by means of homology modelling and molecular dynamics tools, MODELLER and Gromacs pac  ...[more]

Similar Datasets

Unknown Requirements and reasons for effective inhibition of the anaphase promoting complex activator CDH1.
| S-EPMC2836972 | biostudies-literature
Unknown STYK1/NOK affects cell cycle late mitosis and directly interacts with anaphase-promoting complex activator CDH1.
| S-EPMC9732331 | biostudies-literature
Unknown The anaphase-promoting complex/cyclosome activator Cdh1 modulates Rho GTPase by targeting p190 RhoGAP for degradation.
| S-EPMC2916440 | biostudies-literature
Unknown Structural organization of the anaphase-promoting complex bound to the mitotic activator Slp1.
| S-EPMC2197158 | biostudies-literature
Unknown Phosphorylation of the Anaphase Promoting Complex activator FZR1/CDH1 is required for Meiosis II entry in mouse male germ cell.
| S-EPMC7308413 | biostudies-literature
Unknown Structural Insight into Anaphase Promoting Complex 3 Structure and Docking with a Natural Inhibitory Compound.
| S-EPMC5359995 | biostudies-literature
Unknown Mouse ribonucleotide reductase R2 protein: a new target for anaphase-promoting complex-Cdh1-mediated proteolysis.
| S-EPMC153024 | biostudies-literature
Unknown Acm1 is a negative regulator of the CDH1-dependent anaphase-promoting complex/cyclosome in budding yeast.
| S-EPMC1698549 | biostudies-literature
Unknown Cdh1-anaphase-promoting complex targets Skp2 for destruction in transforming growth factor beta-induced growth inhibition.
| S-EPMC1899917 | biostudies-literature
Unknown Developmental role and regulation of cortex, a meiosis-specific anaphase-promoting complex/cyclosome activator.
| S-EPMC2077894 | biostudies-literature