pone.0292455.g008.tif (1.56 MB)

Predicted 2D and 3D binding interactions of compound A01 with caspase 3.

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posted on 2023-12-21, 18:54 authored by Mubashir Aziz, Muhammad Sarfraz, Muhammad Khurrum Ibrahim, Syeda Abida Ejaz, Tasneem Zehra, Hanan A. Ogaly, Mosab Arafat, Fatimah A. M. Al-Zahrani, Chen Li

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significant global cause potent bioactive agents particularly potent candidate one strategic avenue lactate dehydrogenase release imparting significant insights amidst ongoing efforts employed computational techniques computational analyses suggest molecular dynamics simulations including molecular docking 3 activity assays hydroxyacetyl )- 4 6s )- 4 promising anticancer candidates via caspase 3 study &# 8217 knowledge holds potential demonstrated marked efficacy 9 -( 2 anticancer activity computational investigations molecular mechanisms molecular level anticancer potential anticancer drugs target cancer robust groundwork research contributes predominantly arising potential bolstered minor groove key enzymes future inquiries effective drugs earlier studies distinctive aspects deeper understanding corroborative evidence comprehensively explore cancer treatment cancer pathway binding mechanisms associated proteins also highlighted

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Predicted 2D and 3D binding interactions of compound A01 with caspase 3.

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