3D-QSAR (CoMFA, CoMSIA, HQSAR and topomer CoMFA), MD simulations and molecular docking studies on purinylpyridine derivatives as B-Raf inhibitors for the treatment of melanoma cancer
Sign Up to like & getrecommendations! Published in 2019 at "Structural Chemistry"
DOI: 10.1007/s11224-019-01334-9
Abstract: As per the World Health Organization (WHO), cancer is the second most leading cause of death after cardiovascular diseases in worldwide with around 9.88 million total new cases and 1.08 million were observed due to… read more here.
Keywords: topomer comfa; cancer; raf inhibitors; comfa ... See more keywords
2D-SAR, Topomer CoMFA and molecular docking studies on avian influenza neuraminidase inhibitors
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DOI: 10.1016/j.csbj.2018.11.007
Abstract: Avian influenza is a serious zoonotic infectious disease with huge negative impacts on local poultry farming, human health and social stability. Therefore, the design of new compounds against avian influenza has been the focus in… read more here.
Keywords: avian influenza; molecular docking; topomer comfa; neuraminidase inhibitors ... See more keywords
Structural Insights on Hyp-Gly-Containing Peptides as Antiplatelet Compounds through Topomer CoMFA and CoMSIA Analysis
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DOI: 10.3390/foods12040777
Abstract: Increasing evidence has shown collagen hydrolysate involves a variety of bioactivities. In our previous study, multiple antiplatelet peptides containing Hyp/Pro-Gly were identified in collagen hydrolysates from Salmo salar and silver carp skin and exhibited anti-thrombosis… read more here.
Keywords: topomer comfa; activity; value; containing peptides ... See more keywords