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Insilico Screening of Bioactive Phytochemicals against Spike Protein of COVID-19

Insilico Screening of Bioactive Phytochemicals against Spike Protein of COVID-19

Muhammad Hamza Tariq1, Mahjabeen Akram2 and Yasir Sharif3*

1Atta-ur-Rehman School of Applied Biosciences, National University of Science and Technology, Islamabad, Pakistan
2Paediatrics Medicine Unit 1, Services Hospital, Lahore 54000, Pakistan
3Institute of Biochemistry and Biotechnology, University of the Punjab, Lahore-54590, Pakistan

*      Corresponding author: [email protected]

Fig. 1.

2D interaction images of top five phytochemicals, having potential drug-like properties, against COVID-19 spike protein where (1) shows interactions of Morin in which side chain atom, Asp 863 is involved in hydrogen bond interaction, (2) shows interactions of Apigenin in which side chain atom Asp 364 is involved in hydrogen bond formation, (3) shows interactions of Curcumin in which Asp 364 is involved in hydrogen bond formation, (4) shows interactions of Cedronolactone A in which Asp 863 is involved in hydrogen bond interaction and (5) shows interactions of Matairesinol in which Ser 373 and Cys 336 are involved in hydrogen bond interaction.

Fig. 2.

3D interaction images of top five phytochemicals, having potential drug-like properties, against COVID-19 spike protein where (1) shows interactions of Morin (2) shows interactions of Apigenin (3) shows interactions of Curcumin (4) shows interactions of Cedronolactone A and (5) shows interactions of Matairesinol.

Pakistan Journal of Zoology

October

Pakistan J. Zool., Vol. 56, Iss. 5, pp. 2001-2500

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