A New Anticancer Semisynthetic Theobromine Derivative Targeting EGFR Protein: CADDD Study

A New Anticancer Semisynthetic Theobromine Derivative Targeting EGFR Protein: CADDD Study

A new lead compound has been designed as an antiangiogenic EGFR inhibitor that has the pharmacophoric characteristics to bind with the catalytic pocket of EGFR protein. The designed lead compound is a (para-chloro)acetamide derivative of the alkaloid, theobromine, (<b>T-1-PCPA</b>). At f...

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Hlavní autoři: Ibrahim H. Eissa, Reda G. Yousef, Hazem Elkady, Aisha A. Alsfouk, Bshra A. Alsfouk, Dalal Z. Husein, Ibrahim M. Ibrahim, Eslam B. Elkaeed, Ahmed M. Metwaly
Médium: Článek
Jazyk:English
Vydáno: MDPI AG 2023-01-01
Edice:Life
Témata:
EGFR inhibitor
semi synthesis
CADDD
DFT
docking
MD simulations
On-line přístup:https://www.mdpi.com/2075-1729/13/1/191

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https://www.mdpi.com/2075-1729/13/1/191

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