4. RESULTS AND DISCUSSIONThe re-doc

4. RESULTS AND DISCUSSION
The re-docking studies of the co-crystallized efavirenz validated the working of the glide
protocol of Schrodinger 2012 software. Efavirez was found to have the docking score of -
13.9. The docking scores of the succinic acid derivatives and the ligand protein interaction
diagram appear in table 1. From the table it is clear that 2-(diphenylmethylene)succinic acid
is the best with docking score of -11.95. Efavirenz is held through LYS-101, LYS-102, LYS-
103, PHE 227,VAL-106,PRO-95, TYR-188 TRY-183, TYR-181 VAL-179,VAL- 189, ILE-
180 LEU- 100 amino acids of the protein. The 2-(diphenylmethylene)succinic acid is held in
the protein through amino acids LYS-101, TRP-229, LYS103,TYR-318, HID-235, VAL-
106, PRO-236, LEU 234, PHE-227, TRP-229, TYR-188, TYR 183, TYR-181, PRO-95,
GLY-190, ILE-180, VAL-179, LEU-100. The similarities in the interactions with the amino
acids are remarkable. The conformational pose of the docked 2-(diphenyl methylene)succinic
acid appears in the fig1.

Results (Indonesian) 1:

4. HASIL DAN DISKUSIStudi kembali docking efavirenz Co mengkristal divalidasi kerja meluncurprotokol Schrödinger 2012 software. Efavirez ditemukan memiliki Skor docking-13,9. nilai docking turunan asam succinic dan interaksi protein liganDiagram muncul dalam tabel 1. Dari tabel itu adalah jelas bahwa 2-(diphenylmethylene) succinic asamadalah yang terbaik dengan docking Skor-11.95. Efavirenz diadakan melalui LYS-101, LYS-102, LYS -103, PHE 227, VAL-106, PRO-95, TYR-188 COBA-183, TYR-181 VAL-179, VAL-189, ILE -180 LEU - 100 asam amino protein. 2-(diphenylmethylene) succinic asam diadakan diprotein melalui asam amino LYS-101, TRP-229, LYS103, TYR-318, HID-235, VAL -106, PRO-236, LEU 234, PHE-227, TRP-229, TYR-188, TYR 183, TYR-181, PRO-95,GLY-190, ILE-180, VAL-179, LEU-100. Kesamaan dalam interaksi dengan aminoasam luar biasa. Pose konformasi merapat 2-(diphenyl methylene) succinicasam muncul dalam fig1.

Results (Indonesian) 2:

4. HASIL DAN PEMBAHASAN
Penelitian ulang docking dari efavirenz co-mengkristal divalidasi kerja dari luncuran
protokol 2012 software Schrodinger. Efavirez ditemukan memiliki skor docking dari -
13.9. Skor docking dari turunan asam suksinat dan protein ligan interaksi
diagram muncul di tabel 1. Dari tabel jelas bahwa 2- (diphenylmethylene) asam suksinat
adalah yang terbaik dengan skor docking dari -11,95. Efavirenz diadakan melalui LYS-101, LYS-102, LYS-
103, PHE 227, VAL-106, PRO-95, TYR-188 TRY-183, TYR-181 VAL-179,-nilai 189, ILE-
180 LEU- 100 asam amino dari protein. The 2- (diphenylmethylene) asam suksinat diadakan di
protein melalui asam amino LYS-101, TRP-229, LYS103, TYR-318, HID-235,-nilai
106, PRO-236, LEU 234, PHE-227, TRP -229, TYR-188, TYR 183, TYR-181, PRO-95,
Gly-190, ILE-180, VAL-179, LEU-100. Kesamaan dalam interaksi dengan amino
asam yang luar biasa. Pose konformasi dari suksinat merapat 2- (diphenyl metilen)
asam muncul di fig1 tersebut.