Title : Structure-based discovery of neoandrographolide as a novel inhibitor of Rab5 to suppress cancer growth.

Pub. Date : 2020

PMID : 33335690






7 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Rapid GDP/GTP exchange in the packet of Rab5 sustains its high activity for promoting cancer progression. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
2 Herein, we reported the discovery of a novel Rab5 inhibitor, neoandrographolide (NAP), by using high-throughput virtual screening with a natural product library containing 7459 compounds, which can occupy the surface groove of Rab5, competing with GDP/GTP for the binding. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
3 Herein, we reported the discovery of a novel Rab5 inhibitor, neoandrographolide (NAP), by using high-throughput virtual screening with a natural product library containing 7459 compounds, which can occupy the surface groove of Rab5, competing with GDP/GTP for the binding. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
4 Ser34 is the most important residue in the groove of Rab5, as it forms most hydrogen-bond interactions with GDP/GTP or NAP, and in silico mutation of Ser34 decreased the stabilization of Rab5. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
5 Ser34 is the most important residue in the groove of Rab5, as it forms most hydrogen-bond interactions with GDP/GTP or NAP, and in silico mutation of Ser34 decreased the stabilization of Rab5. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
6 This finding firstly identifies NAP as a novel inhibitor of Rab5, which directly binds with Rab5 by occupying the GDP/GTP binding groove to suppress its functions, highlighting a great potential of NAP to be developed as a chemotherapeutic agent in cancer therapy. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens
7 This finding firstly identifies NAP as a novel inhibitor of Rab5, which directly binds with Rab5 by occupying the GDP/GTP binding groove to suppress its functions, highlighting a great potential of NAP to be developed as a chemotherapeutic agent in cancer therapy. Guanosine Diphosphate RAB5A, member RAS oncogene family Homo sapiens