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. 2022 Aug 15;12:933824. doi: 10.3389/fcimb.2022.933824

Table 2.

Important bioactive metabolites extracted from Withania somnifera may be used for the management of COVID-19.

S.No. Phytochemicals Pubchem Id Binding energy (kcal/mol) Molecular weight (g/mol) Part of Plant used Structure of Phytochemical Nature References
1. Tropine 449293 -2.54 141.21 Leaves graphic file with name fcimb-12-933824-i001.jpg Methanolic Chatterjee et al. (2010); Tomar et al. (2019)
2. Mesoanaferine 443143 -3.42 224.34 Leaves graphic file with name fcimb-12-933824-i002.jpg Methanolic Cardenas et al. (2012); Kumar and Singh (2020)
3. Choline 305 104.17 Leaves graphic file with name fcimb-12-933824-i003.jpg Methanolic Ahlawat et al. (2017)
4. Withanolide D 23266147 -8.9  470.6 Leaves graphic file with name fcimb-12-933824-i004.jpg Methanolic Ben Bakrim et al., 2018
5. Withanolide O 23266146 -7.8 454.6 Leaves graphic file with name fcimb-12-933824-i005.jpg Methanolic Khanal et al. (2020)
6. Withanolide P  21679034 -7.7 468.6 Leaves graphic file with name fcimb-12-933824-i006.jpg Methanolic Khanal et al. (2020)
7. Withanolide G 21679023 -9.00 470.6 Leaves graphic file with name fcimb-12-933824-i007.jpg Alcoholic Mousavi et al. (2021)
8. Withanolide M 25090669 -9.1 652.8 Leaves graphic file with name fcimb-12-933824-i008.jpg Alcoholic Khanal et al. (2020)
9. Withanolide F 44562999 -7.8 488.6 Leaves graphic file with name fcimb-12-933824-i009.jpg Alcoholic Khanal et al. (2020)
10. Withanoside IV 71312551 -11.02 782.9 Leaves graphic file with name fcimb-12-933824-i010.jpg Butanol Ali et al. (2022)
11. Withanoside VI 91827019 8.083 782.9 Leaves graphic file with name fcimb-12-933824-i011.jpg Methanolic Patel et al. (2021)
12. Withaferin A 265237 -2.85 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i012.jpg Methanolic Balkrishna et al. (2020); Kumar and Singh (2020); Mohan et al. (2016); Kumar et al. (2022);
Pandit and Latha (2020)
13. Withanolide D 118701104 -5.55 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i013.jpg Methanolic Khanal et al. (2020)
14. Withanolide A 11294368 -5.26 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i014.jpg Methanolic Kour et al. (2009); Soman et al. (2013); Pandit and Latha (2020)
15. Withanone 21679027 -6.14 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i015.jpg Methanolic Wadegaonkar and Wadegaonkar (2013); Dar et al. (2017); Kumar and Singh (2020); Balkrishna et al. (2020)
16. 27-hydroxy withanolide B 14236711 -5.23 454.6 Leaves and Roots graphic file with name fcimb-12-933824-i016.jpg Methanolic Turrini et al. (2016); Balkrishna et al. (2021)
17. Pseudowithanine 10955717 -3.34 241.33 Leaves and Roots graphic file with name fcimb-12-933824-i017.jpg Methanolic Turrini et al. (2016); Balkrishna et al. (2021)
18. Withasomniferol A 101710595 -3.35 486.6 Leaves and Roots graphic file with name fcimb-12-933824-i018.jpg Methanolic Singh et al. (2020)
19. Withasomniferol B 101710596 -4.22 472.6 Leaves and Roots graphic file with name fcimb-12-933824-i019.jpg Methanolic Singh et al. (2020)
20. Withasomniferol C 101710597 -4.88 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i020.jpg Methanolic Kandagalla et al. (2022)
21. β-sitosterol 348285530 -5.44 414.71 Leaves and Roots graphic file with name fcimb-12-933824-i021.jpg Methanolic Kandagalla et al. (2022)
22. Withanolide 53477765 -5.26 470.6 Leaves and Roots graphic file with name fcimb-12-933824-i022.jpg Methanolic Kalra and Kandimalla (2021)
23. Withanosides II 101168811 -11.30 798.9 Leaves and Roots graphic file with name fcimb-12-933824-i023.jpg Methanolic Kalra and Kandimalla (2021)
24. Withanosides III 101168810 652.8 Leaves and Roots graphic file with name fcimb-12-933824-i024.jpg Methanolic Ali et al. (1997); Jayaprakasam et al. (2004); Kalra and Kandimalla (2021)
25. Withanosides IV 71312551 -11.02 782.9 Leaves and Roots graphic file with name fcimb-12-933824-i025.jpg Methanolic Kalra and Kandimalla (2021)
26. Withanosides V 10700345 -8.96 766.9 Leaves and Roots graphic file with name fcimb-12-933824-i026.jpg Methanolic Kalra and Kandimalla (2021)
27. Withanosides VI 91827019 782.9 Leaves and Roots graphic file with name fcimb-12-933824-i027.jpg Methanolic Kalra and Kandimalla (2021)
28. Physagulin D 10100412 -4.48 620.8 Leaves and Roots graphic file with name fcimb-12-933824-i028.jpg Methanolic Kumar and Singh (2020)
29. Withasomnilide 102066413 -4.98 470.6 Stem Bark graphic file with name fcimb-12-933824-i029.jpg Ethanolic Tong et al. (2011)
30. Somniferanolide 102066415 -7.89 468.6 Stem Bark graphic file with name fcimb-12-933824-i030.jpg Methanolic Hasan et al, 2022; Ali et al, 1997
31. Somniferine  14106343  9.62 608.7 Stem Bark graphic file with name fcimb-12-933824-i031.jpg Methanolic Hasan et al, 2022; Ali et al, 1997
32. Withasomniferanolide 102066414  -3.53 470.6 Stem Bark graphic file with name fcimb-12-933824-i032.jpg Methanolic Kalra and Kandimalla (2021)
33. Somniwithanolide 102066417   -5.42 486.6 Stem Bark graphic file with name fcimb-12-933824-i033.jpg Methanolic Prajapati et al. (2022)
34. Withanolide 9469353  -5.81 370.4 Whole plant graphic file with name fcimb-12-933824-i034.jpg Methanolic Kirson et al. (1971); Kirson et al. (1971); Matsuda et al. (2001); Jayaprakasam and Nair (2003); Choudhary et al. (2010)
35. Viscosalactone B 57403080  -11.1 488.6 Whole plant graphic file with name fcimb-12-933824-i035.jpg Methanolic Borse et al., 2020
36. 27-acetoxy -4β,6α –dihydroxy -5β-chloro -1-oxowitha -2,24-dienolide 21044792 -3.30 523.34 Aerial parts graphic file with name fcimb-12-933824-i036.jpg Methanolic Kuboyama et al. (2006); Tong et al. (2011); Seth et al. (2020)