id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-299711-m5gb03is	Udrea, Ana-Maria	Laser irradiated phenothiazines: New potential treatment for COVID-19 explored by molecular docking	2020-08-15		.txt	text/plain	2191	153	54	In this study we predict, using molecular docking, the binding affinity of 15 phenothiazines (antihistaminic and antipsychotic drugs) when interacting with the main protease (M(pro)) of SARS-CoV-2. For identifying a treatment of COVID-19 disease, we used molecular docking procedure to predict the inhibitory activity (against SARS-CoV-2) M pro of some compounds from phenothiazines drug class. To simulate the interaction between SARS-CoV-2 and drugs from the class of phenothiazines including TZ and CPZ photoproducts we have used the virus M pro from RCSB Protein Data Bank: PDB code 6LU7 [15] . The 2D/3D chemical structure of compounds from Phenothiazines class and TZ and CPZ photoproducts that resulted during laser irradiation; 2D chemical structure, lowest EFEB (kcal/mol) for each compound resulted after 100 runs using molecular docking simulation, predicted KI (nM) and pKI values are also presented. Our results suggest that TZ and TZ photoproducts obtained by laser irradiation, have significant biological activity on SARS-CoV-2 M pro and could be used in a potent treatment in COVID-19 disease.	./cache/cord-299711-m5gb03is.txt	./txt/cord-299711-m5gb03is.txt