Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2

VEGFR-2 is a significant target in cancer treatment, inhibiting angiogenesis and impeding tumor growth. Utilizing the essential pharmacophoric structural properties, a new semi-synthetic theobromine analogue (T-1-MBHEPA) was designed as VEGFR-2 inhibitor. Firstly, T-1-MBHEPA's stability and reactivi...

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Detalhes bibliográficos

Principais autores:	Ibrahim H. Eissa, Reda G. Yousef, Mostafa A. Asmaey, Hazem Elkady, Dalal Z. Husein, Aisha A. Alsfouk, Ibrahim M. Ibrahim, Mohamed A. Elkady, Eslam B. Elkaeed, Ahmed M. Metwaly
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Springer 2023-12-01
coleção:	Saudi Pharmaceutical Journal
Assuntos:	Theobromine derivatives Breast cancer VEGFR-2 inhibitors Semi synthesis MD simulations Anti-proliferative
Acesso em linha:	http://www.sciencedirect.com/science/article/pii/S131901642300347X
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