Disease Markers

Research Article

In Silico Identification of New Targets for Diagnosis, Vaccine, and Drug Candidates against Trypanosoma cruzi

Table 6

Identification of the druggability cavities obtained by DoGSiteScorer.


Protein	Volume (angstrom³)	Surface area (angstrom²)	Drug score	Residues

RNA editing complex protein M18	1494.7	2197.05	0.81	VAL28, GLY29, VAL30, VAL31, HIS32, ASP33, ILE34, GLN35, THR45, GLN46, PHE47, THR48, THR50, THR51, THR52, LYS67, HIS69, ILE72, CYS74, PHE79, VAL83, LYS84, GLN85, LYS86, VAL87, LYS88, GLU89, GLY90, ASN91, VAL92, VAL93, VAL95, ASN9, VAL120, GLN126, VAL127, VAL129, HIS131, GLY132, ASP133, ARG134, ARG135, ASN136, THR137, PRO138, VAL139, SER140, VAL141, ASN142, PRO143, THR144, ALA145, GLU146
Hypothetical protein TCDM_03925	1131.67	1451.37	0.81	GLU235, ARG238, GLY239, GLU240, LEU241, ARG242, GLY245, CYS246, VAL247, ALA248, HIS300, THR337, VAL338, ASP339, PRO340, THR341, ALA342, VAL343, GLU394, LEU395, GLY396, SER397, ARG398, LEU399, GLY444, SER446, PRO503, MET504, GLN505, ARG506, LEU579, GLY582, LYS583, LEU585, LYS586, LEU587, LEU588, TYR589, SER590, PRO591, GLU596, PRO597, ARG598, ASN599, VAL600, PHE602, TYR603, SER604, GLU605, ALA607, ALA608, ILE610, GLU611, ALA639, ARG640, ARG641, PHE642, ALA659
Inosine-guanine nucleoside hydrolases	794.5	907.63	0.81	ASP11, GLY13, GLY14, ASP15, ASP16, ASN40, VAL41, THR77, VAL78, GLN79, TRP80, GLY81, GLY82, PHE83, GLY84, ARG85, ASP86, GLY87, LEU131, GLY132, PRO133, MET162, ASN171, SER172, GLU177, PHE178, ASN179, TRP205, TRP215, PHE247, LEU250, THR254, ASP273, THR275, CYS276, VAL277, ILE278, PRO279, ASP280
Mitochondrial RNA-binding protein 1	858.62	1230.81	0.82	ILE34, HIS35, ASP36, ARG38, PRO41, ALA42, LEU43, GLY44, THR45, MET46, THR47, GLN60, TYR61, PRO62, GLN63, LEU64, GLY65, ASP79, ASP81, ARG82, ILE84, ILE131, HIS132, ARG133, VAL134, ALA135, SER136, LYS138, GLU140, ASP141, TRP142, SER143, VAL144, ASN145, PHE146, ASP147, LYS148, PHE150
Calpain-like cysteine peptidase	213.06	409.93	0.27	SER6, SER7, THR8, SER9, GLU32, ILE34, GLY35, SER38, GLU42, THR43, GLY44, GLU45
Trans-sialidase	431.81	805.62	0.72	THR22, SER99, GLY100, GLY101, ALA102, GLY103, VAL104, PHE113, PRO114, TYR151, PRO152, ARG153, VAL154, THR155, LEU162, MET163, SER164, VAL165, ASP166, ARG172, VAL173, LEU190, TRP194, LYS206