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. 2020 Jul 1;9:663. [Version 1] doi: 10.12688/f1000research.24143.1

Table 4. List of top 15 lead molecules and hydroxychloroquine subjected for molecular docking in XP mode.

Sl. No Molecule name XP_Score Mol_Structure Pharmacological activity
1 Fytic acid -10.296 graphic file with name f1000research-9-26631-g0007.jpg Hypocalcemic agent
2 Diquafosol -9.109 graphic file with name f1000research-9-26631-g0008.jpg Purinoceptor P2Y(2) receptor agonist
3 Oxiglutatione -7.869 graphic file with name f1000research-9-26631-g0009.jpg Intraocular Irrigating Solution
4 Ceftolozane -8.07 graphic file with name f1000research-9-26631-g0010.jpg Antibiotic
5 Glycyrrhizic acid -7.474 graphic file with name f1000research-9-26631-g0011.jpg Anti-inflammatory
6 Leucovorin -7.39 graphic file with name f1000research-9-26631-g0012.jpg Folic acid antagonist
7 Cefpimizole -6.51 graphic file with name f1000research-9-26631-g0013.jpg Antibiotic
8 Streptomycin -6.509 graphic file with name f1000research-9-26631-g0014.jpg Antibiotic
9 Ertapenem -5.758 graphic file with name f1000research-9-26631-g0015.jpg Antibiotic
10 Enoxacin -5.539 graphic file with name f1000research-9-26631-g0016.jpg Antibacterial
11 Acetyldigitoxin -5.407 graphic file with name f1000research-9-26631-g0017.jpg Cardioactive
12 Pefloxacin -5.399 graphic file with name f1000research-9-26631-g0018.jpg Antibacterial
13 Faropenem -5.354 graphic file with name f1000research-9-26631-g0019.jpg Antibiotic
14 Ciprofloxacin -5.318 graphic file with name f1000research-9-26631-g0020.jpg Antibacterial
15 Ceforanide -5.302 graphic file with name f1000research-9-26631-g0021.jpg Antibiotic
16 Hydroxychloroquine -5.302 graphic file with name f1000research-9-26631-g0022.jpg Antimalerial