Binding Affinity

No. Koformer Golongan (kkal/mol)

1 Acetaminophen fenol / amida -4.0
2 Acetazolamide amida -3.5
3 Acetylsalicylic acid -3.6
4 Adenin Asam nukleat -3.6
5 Adipic acid asam karboksilat -3.3
6 Ascorbic acid asam karboksilat -3.0
7 Aspartame asam karboksilat -4.7
8 Benzamide amida -4.3
9 Benzoic acid asam karboksilat -3.3
10 Catechin hydrate polifenol -4.8
11 Cinnamic acid asam karboksilat -4.1
12 Citric acid -3.1
13 Creatinine Asam amino -2.7
14 Cytosine Asam amino -3.0
15 D-Tartaric acid asam karboksilat -2.7
16 Ellagic acid dihydrate polifenol -4.7
17 Ethyl gallate ester -3.6
18 Fumaric acid -2.9
19 Gallic acid asam karboksilat -3.6
20 Glutamine Asam amino -3.2
21 Glutaric acid asam karboksilat -2.6
22 Guanine Asam nukleat -3.8
23 Isonicotinamide (INA) amida -3.1
24 Ketoprofen asam karboksilat -5.3
25 L-alanine Asam amino
26 L-asparagine Asam amino
27 L-Tartaric acid (LTA) asam karboksilat
28 Maleic acid -2.5
29 Malonic acid -2.3
30 Methyl paraben -3.5
31 Neotame pemanis buatan
32 Nicotinamide -3.1
33 o-aminobenzoic acid asam karboksilat
34 Oxalic acid -1.9
35 p-aminobenzoic acid asam karboksilat
36 Picolinamide amida
37 Protocatechuic acid polifenol
38 Pyrazinamide amida
39 Quercetin dihydrate polifenol
40 Resorcinol polifenol -3.7
41 Rutin polifenol
42 Saccharine (SAC) carboksamida/pemanis buatan -3.8
43 Salicylamide amida
44 Salicylic acid asam karboksilat
45 Succinic acid asam karboksilat
46 Tartaric acid -2.7
47 Taurine Asam amino
48 Thymine Asam nuklat
 BAF & Koformer Molekul 2D
Atorvastatin Ca
(Bahan Aktif Farmasi)

Acetazolamide

Adipic acid

Ascorbic acid
Aspartame

Resorcinol

Nicotinamide

Fumaric acid
 Citric acid

Acetylsalicylic acid

Maleic acid
Isonicotinamide (INA)

Oxalic acid

Malonic acid

Methyl paraben
 Tartaric acid

Saccharine (SAC)

Acetaminophen

Adenin
 Benzamide

Benzoic acid

Catechin hydrate

Cinnamic acid
 Creatinine

Cytosine

D-Tartaric acid
Ellagic acid dihydrate

Ethyl gallate

Gallic acid

Glutamine
Glutaric acid

Guanine

Ketoprofen
Molekul 3D (Hasil Optimasi Geometri)
Total Energy: -7.8296 kcal/mol
Total Energy: 22.2521 kcal/mol

Total Energy: -4.0809 kcal/mol

Total Energy: 3.4983 kcal/mol

Total Energy: -21.7264 kcal/mol

Total Energy: 0.5821 kcal/mol

Total Energy: 0.3400 kcal/mol

Total Energy: -0.0671 kcal/mol

Total Energy: -1.1409 kcal/mol

Total Energy: -14.2324 kcal/mol

Total Energy: -2.2800 kcal/mol

Total Energy: -11.5108 kcal/mol

Total Energy: -8.0630 kcal/mol

Total Energy: 0.0730 kcal/mol

Total Energy: 10.3313 kcal/mol

Total Energy: 35.4126 kcal/mol

Hasil Docking