1,4-Naphthoquinone exhibits a variety of bioactivities and inhibitory effects across multiple biological targets. It inhibits topoisomerase I with a minimal inhibitory concentration (MIC) greater than 500,000.0 nM and topoisomerase 2 ATPase domain with a 56% inhibition rate at 25 μM. It effectively increases survival time in mice against ascitic sarcoma 180, showing an ED25 of 1.9 mg/kg, and exhibits acute toxicity with an LD50 of 5.5 mg/kg. The compound demonstrates significant vasorelaxation, inhibiting acetylcholine-induced relaxation in rat aorta with an EC50 of 127.0 nM and an Emax of 98.0%.
Furthermore, it shows protease inhibitory activity with IC50 values of 21,000.0 nM and 29,000.0 nM against HRV 3Cpro and papain, respectively, as well as 76.0% inhibition against papain. It has notable antiproliferative and cytotoxic effects against various cancer cell lines including murine leukemia, human lung carcinoma, colon carcinoma, melanoma, A2780, MG63, HepG2, MCF7, HT-29, MDA-MB-231, DU145, HCT116, SKOV3, and A549, with IC50 values ranging from 2,300.0 nM to greater than 25,000.0 nM depending on the cell line.
1,4-Naphthoquinone exhibits antimycobacterial activity, with a MIC of 1.0 μg/mL against Mycobacterium tuberculosis H37Rv and an IC50 of 1.2 μg/mL for cytotoxicity against Vero cells. It inhibits IDO1 (IC50 = 460.0 nM), MEK1 (IC50 = 380.0 nM), histone methyltransferases GLP (IC50 = 14,000.0 nM) and G9a (IC50 = 2,000.0 nM), recombinant Clostridium botulinum neurotoxin serotype A, recombinant AKT1, human recombinant MAO-A and MAO-B, and the human recombinant Pin1 enzyme.
Additionally, the compound exhibits binding and inhibition of Mycobacterium tuberculosis Rv1284 (76.6% activity reduction at 25 μM) and N-terminal Hi-tagged Rv3588c (94.8% activity reduction at 25 μM). It demonstrates neuroprotective properties in mouse HT22 cells, with a therapeutic index (TI) of 12.0 and exhibits glutathione reactivity (20.0% to 47.0%). Finally, 1,4-Naphthoquinone inhibits SARS-CoV-2 main protease with an IC50 of 129.77 nM, and has antiviral activity against SARS-CoV-2 in Vero-6 cells with IC50 values greater than 20,000.0 nM.
These diverse bioactivities and inhibitory effects make 1,4-Naphthoquinone a multifaceted candidate for further pharmacological and therapeutic evaluations..
Note: Summary generated by AI. Data source: ChEMBL 