Table 2.

Top 18 mostly connected proteins (number of neighbors > 12) in the protein–ligand interaction network of M.tuberculosis

PDB id	Protein name	Gene name	Links	SMAP P-valuea	Drug PDB idb	eHits Score
1xdi	Dihydrolipoamide Dehydrogenase LPDA	Rv3303c	24	0.000	NMG	−5.56
2ied	Enoyl-[acyl-carrier-protein] reductase [NADH]	Rv1484	20	Drug target of isoniazid
1u0r	Inorganic polyphosphate/ATP-NAD kinase	Rv1695	20	9.904E-6	FNM	−4.59
1me5	Alkyl hydroperoxide reductase ahpD	Rv2429	20	7.187E-4	P1Z	−4.23
2i3g	N-acetyl-gamma-glutamyl-phosphate reductase	Rv1652	17	1.810E-7	2ML	−3.98
1ted	Chalcone/stilbene synthase family protein	Rv1372	17	5.119E-6	OHA	−5.12
3ddn	D-3-phosphoglycerate dehydrogenase	Rv2996c	16	8.245E-6	ROC	−8.00
3cy1	Cytochrome P450 121	Rv2276	16	Drug metabolizing enzyme
1y8t	Serine Protease PEPD	Rv0983	16	9.565E-4	505	−3.96
2vp8	Dihydropteroate Synthase 2	Rv1207	15	9.458E-4	E3O	−4.66
2q74	Inositol-1-monophosphatase	Rv2701c	15	8.944E-5	ID2	−2.57
2c7g	NADPH-ferredoxin reductase fprA	Rv3106	14	9.992E-16	URF	−4.34
2c45	Aspartate 1-Decarboxylase Precursor	Rv3601c	14	1.259E-3	RIS	−0.38
1nfr	3-α-(or 20-β)-hydroxysteroid dehydrogenase	Rv2002	14	1.000E-9	TOY	−5.15
2qj3	Malonyl CoA-acyl carrier protein transacylase	Rv2243	12	2.507E-5	E3O	−4.38
2a87	Thioredoxin reductase	Rv3913	12	4.957E-11	RBF	−6.07
1yl7	Dihydrodipicolinate reductase	Rv2773c	12	3.918E-5	BA3	−3.78
1v92	NSFL1 cofactor p47	Rv2150c	12	>1.000E-2	–	–

^aPresents the lowest P-value between the identified hub proteins and 305 proteins binding with existing drugs in PDB.

^bPresents the drugs with the lowest eHiTs score when docked to the identified hub proteins.