EGFR Enzyme Docking with Erlotinib

All modelling experiments were conducted with MOE programs running on PC computer (MOE 2008.10 of Chemical Computing Group. Inc, Montreal, QC, Canada)⁶⁷ . Starting coordinates of the X-ray crystal structure of EGFR enzyme in complex with eroltinib (PDB code 1M17) is obtained from the RCSB Protein Data Bank. All the hydrogen was added and enzyme structure was subjected to a refinement. The docking methodology was similar to that described in our previous reports⁵ ^,^68–70 (link).

Free full text: Click here

El-Husseiny W.M., El-Sayed M.A., Abdel-Aziz N.I., El-Azab A.S., Ahmed E.R, & Abdel-Aziz A.A. (2018). Synthesis, antitumour and antioxidant activities of novel α,β-unsaturated ketones and related heterocyclic analogues: EGFR inhibition and molecular modelling study. Journal of Enzyme Inhibition and Medicinal Chemistry, 33(1), 507-518.

Publication 2018

MOE 2008.10

Egfr Enzyme Hydrogen X ray

Corresponding Organization : Al-Azhar University

Other organizations : Damietta University, Vacsera (Egypt)

Top 5 similar protocols

Variable analysis

independent variables

Modeling experiments using MOE programs

dependent variables

Binding of erlotinib to the EGFR enzyme

control variables

Use of X-ray crystal structure of EGFR enzyme in complex with erlotinib (PDB code 1M17) as the starting coordinates
Addition of hydrogen and refinement of the enzyme structure

controls

Positive control: Not explicitly mentioned
Negative control: Not explicitly mentioned

Annotations

Based on most similar protocols

Etiam vel ipsum. Morbi facilisis vestibulum nisl. Praesent cursus laoreet felis. Integer adipiscing pretium orci. Nulla facilisi. Quisque posuere bibendum purus. Nulla quam mauris, cursus eget, convallis ac, molestie non, enim. Aliquam congue. Quisque sagittis nonummy sapien. Proin molestie sem vitae urna. Maecenas lorem.

As authors may omit details in methods from publication, our AI will look for missing critical information across the 5 most similar protocols.

About PubCompare

Our mission is to provide scientists with the largest repository of trustworthy protocols and intelligent analytical tools, thereby offering them extensive information to design robust protocols aimed at minimizing the risk of failures.

We believe that the most crucial aspect is to grant scientists access to a wide range of reliable sources and new useful tools that surpass human capabilities.

However, we trust in allowing scientists to determine how to construct their own protocols based on this information, as they are the experts in their field.

Ready to get started?

Revolutionizing how scientists
search and build protocols!