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Article

Drug-Receptor Interaction of Peptidic HIV-1 Protease: The Hydrophobic Effect-I

Table 7

SASA,SASAd, SASAr and ΔSASAdr of compounds of the first set

S.N.

 

SASA

 

 

Binding Site

 

Catalytic Site

Val

Ile

 

Asp

Thr

Gly

Substituent-R

 

Substituent-X

 

Substituent-Y

 

Substituent-Z

 

SASAr = 17.28

SASAr = 24.16

 

SASAr = 20.69

SASAr = 15.66

SASAr =

0

SASAH

SASAR

 

SASAH

SASAX

 

SASAH

SASAY

 

SASAH

SASAZ

 

ΔSASAdr

ΔSASAdr

 

ΔSASAdr

ΔSASAdr

ΔSASAdr

1

 

220.62

 

174.78

45.85

 

220.62

0.00

 

212.52

8.10

 

212.54

8.08

 

28.57

21.69

 

25.16

30.19

-----

2

 

234.86

 

192.21

42.65

 

234.86

0.00

 

226.78

8.08

 

208.27

26.59

 

25.37

18.49

 

21.96

26.99

-----

3

 

247.04

 

195.96

51.08

 

247.04

0.00

 

239.18

7.86

 

218.10

28.94

 

33.80

26.92

 

30.39

35.42

-----

4

 

247.07

 

192.35

54.72

 

247.07

0.00

 

237.92

9.15

 

226.11

20.96

 

37.44

30.56

 

34.03

39.06

-----

5

 

233.90

 

191.55

42.36

 

233.90

0.00

 

217.06

16.84

 

219.56

14.34

 

25.08

18.20

 

21.67

26.70

-----

6

 

230.66

 

190.56

40.09

 

230.66

0.00

 

227.66

3.00

 

211.84

18.82

 

22.81

15.93

 

19.40

24.43

-----

7

 

231.08

 

188.72

42.36

 

231.08

0.00

 

226.30

4.78

 

206.95

24.13

 

25.08

18.20

 

21.67

26.70

-----

8

 

240.17

 

191.60

48.57

 

240.17

0.00

 

232.63

7.54

 

216.63

23.54

 

31.29

24.41

 

27.88

32.91

-----

9

 

244.21

 

192.96

51.24

 

244.21

0.00

 

230.23

13.98

 

220.44

23.77

 

33.96

27.08

 

30.55

35.58

-----

10

 

257.24

 

208.38

48.86

 

257.24

0.00

 

230.84

26.40

 

236.43

20.81

 

31.58

24.70

 

28.17

33.20

-----

11

 

249.78

 

207.76

42.02

 

249.78

0.00

 

220.52

29.26

 

235.09

14.69

 

24.74

17.86

 

21.33

26.36

-----

12

 

251.20

 

196.86

54.34

 

251.20

0.00

 

237.28

13.92

 

223.30

27.90

 

37.06

30.18

 

33.65

38.68

-----

13

 

257.99

 

210.81

47.17

 

257.99

0.00

 

225.50

32.49

 

232.14

25.85

 

29.89

23.01

 

26.48

31.51

-----

14

 

264.17

 

202.17

62.00

 

264.17

0.00

 

239.92

24.25

 

240.75

23.42

 

44.72

37.84

 

41.31

46.34

-----

15

 

249.16

 

213.92

35.24

 

249.30

-0.14

 

221.87

27.29

 

232.86

16.30

 

17.96

11.08

 

14.55

19.58

-----

16

 

261.52

 

216.47

45.05

 

253.96

7.56

 

232.31

29.21

 

236.48

25.04

 

27.77

20.89

 

24.36

29.39

-----

17

 

245.27

 

202.48

42.80

 

245.27

0.00

 

231.08

14.19

 

223.11

22.16

 

25.52

18.64

 

22.11

27.14

-----

18

 

247.64

 

205.52

42.11

 

247.64

0.00

 

228.85

18.79

 

228.50

19.14

 

24.83

17.95

 

21.42

26.45

-----