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Lampiran A Daftar Nama Dan Struktur Anti-HSV 1: Purin-6
Lampiran A Daftar Nama Dan Struktur Anti-HSV 1: Purin-6
4 Obat-Obat Anti-HSV1 Obat Asiklovir Nama IUPAC 2-Amino-1 !"i#i"ro-!-$$2#%"ro&%et#o&% ' metil' -( Hpurin-6 2-amino-!*+$1 ,"i#%"ro&%-roan-2-il' o&%. metil/ -( !"i#i"ro-, Hpurin-6 2-amino-!-+4#%"ro&%-,$#%"ro&%met#% l' butil. -( !"i#i"ro-,H-urin-( Struktur
)ansiklovir
Pensiklovir
,1
0amsiklovir
0oskarnet
asam -#os-#ono2ormi1
,2
Lampiran B Data Hasil Pemodelan 2D dan D Tabel V.1 3ata struktur 23 "an ,3 anti-HSV1 No 1 Sen%a4a Asiklovir 23 ,3
0amsiklovir
)ansiklovir
Lampiran B (lanjutan)
,,
Pensiklovir
Valasiklovir
0oskarnet
)ri" min $& % 6' 7 -2.58519 2.9:9:( -,.49541 )ri" ma& $& % 6' 7 :.4!492 12.9:99 (.5145! Sen%a4a Asiklovir Nilai ;<S3 v"= ra"ius C > 1.! an?strom v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom Best Ligand Pose ener?i > -4.829!: k1alAmol
Lampiran ! (lanjutan) 0amsiklovir v"= ra"ius C > 1.! an?strom ,5 -ose 8 2itness > (.,!1!! k1alAmol
v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom v"= ra"ius all ot#er atoms > 1.! an?strom
Lampiran ! (lanjutan) )ansiklovir v"= ra"ius C > 1.! an?strom ,( ener?i > -4.,9!!: k1alAmol
v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom v"= ra"ius all ot#er atoms > 1.! an?strom
Lampiran ! (lanjutan)
Pensiklovir
ener?i
an?strom v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom v"= ra"ius all ot#er atoms > 1.! an?strom
Lampiran ! (lanjutan)
Valasiklovir
ener?i
an?strom v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom v"= ra"ius all ot#er atoms > 1.! an?strom
Lampiran ! (lanjutan)
,!
0oskarnet
v"= ra"ius C > 1.! an?strom v"= ra"ius N > 1.9 an?strom v"= ra"ius O > 1.: an?strom v"= ra"ius 0 > 1.5 an?strom v"= ra"ius P > 2.1 an?strom v"= ra"ius S > 2 an?strom v"= ra"ius Cl > 1.9 an?strom v"= ra"ius @r > 2 an?strom v"= ra"ius I > 2.2 an?strom v"= ra"ius metals > 1.2 an?strom v"= ra"ius H > 1.2 an?strom v"= ra"ius O 4ater > 1.: an?strom v"= ra"ius all ot#er atoms > 1.! an?strom
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58 mmolAB 3osis maksimal mmolAB 0amsiklovir
-1.29 -!.,85 8.814 !.,1! ener?i > -4.829!: k1alAmol 2.,9 8.999:
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58 mmolAB 3osis maksimal mmolAB
-8.(9 -!.8!9 -8.,!2 !.4! -ose 8 2itness > (.,!1!! k1alAmol 1.41 8.(224
41
)ansiklovir
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58 mmolAB 3osis maksimal mmolAB Pensiklovir
-1.92 -!.12, 8.84! !.1:2 ener?i > -4.,9!!: k1alAmol 2.92 8.:9,(
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58 mmolAB 3osis maksimal mmolAB
-1.( -!.,8: 8.88! !.,1( ener?i > -5.8!98: k1alAmol 1.5( 8.:9!:
42
Valasiklovir
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58mmolAB 3osis maksimal mmolAB 0oskarnet
8.41 -!.,8: 8.81( !.,2, ener?i > -,.58(11 k1alAmol 8.!! 8.(1((
Bo?P HO<O BU<O )a-s Best ligan pose -Bo?BC58mmolAB 3osis maksimal mmolAB
8.2( -12.1(( -8.:,2 12.9!9 ener?i > -4.451(2 k1alAmol 1.,8 8.(((4
4,