Document Text (Pages 91-100) Back to Document

In Silico Drug Design of Biofilm Inhibitors of Staphylococcus epidermidis

by Al-mulla, Aymen Faraoun, MS


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83 Zinc_567796 +ve
84 Zinc_58210450 +ve
85 Zinc_5957291 -8.17
86 Zinc_61634540 +ve
87 Zinc_65619492 +ve
88 Zinc_65635685 +ve
89 Zinc_6702467 -7.61
90 Zinc_69532294 +ve
91 Zinc_70735489 -7.83
92 Zinc_71758861 +ve
93 Zinc_71897844 +ve
94 Zinc_73647932 +ve
95 Zinc_844924 +ve
96 Zinc_120249 +ve
97 Zinc_3982458 +ve
98 Zinc_12496101 -5.393
99 Zinc_13130211 +ve
101 Zinc_13545166 -14.183
102 Zinc_136146 +ve
103 Zinc_1454 -3.3
104 Zinc_1482184 +ve
105 Zinc_1530959 -5.85
106 Zinc_1532514 -13.79
107 Zinc_1538857 +ve
108 Zinc_15449187 +ve
109 Zinc_1590887 +ve
110 Zinc_1648334 -68.56
111 Zinc_1683666 -16.23
112 Zinc_18279854 +ve
113 Zinc_1880 +ve
114 Zinc_19850522 +ve
115 Zinc_2040136 -43.82
116 Zinc_2041240 +ve
117 Zinc_2559949 +ve


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118 Zinc_2575235 +ve
119 Zinc_301 +ve
120 Zinc_36294079 +ve
121 Zinc_3830586 +ve
122 Zinc_3831615 +ve
123 Zinc_403052 +ve
124 Zinc_4215004 +ve
125 Zinc_4403799 -21.12
126 Zinc_4475308 +ve
127 Zinc_490 +ve
128 Zinc_49154 +ve
129 Zinc_4942 +ve
130 Zinc_49952320 +ve
131 Zinc_5358546 +ve
132 Zinc_537809 +ve
133 Zinc_538152 +ve
134 Zinc_538483 +ve
135 Zinc_538538 +ve
136 Zinc_56435 +ve
137 Zinc_5751050 -19.99
138 Zinc_584092 +ve
139 Zinc_6072047 +ve
140 Zinc_622120 +ve
141 Zinc_8143788 +ve
142 Zinc_12346 +ve
143 Zinc_1316 +ve
144 Zinc_13831151 +ve
145 Zinc_1433280 +ve
146 Zinc_1481956 -4.05
147 Zinc_1493878 +ve
148 Zinc_1534965 +ve
149 Zinc_1535101 +ve
150 Zinc_1542916 -5.18
151 Zinc_1544545 -22.12


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152 Zinc_1566379 +ve
153 Zinc_1595 +ve
154 Zinc_1725270 -4.56
155 Zinc_1782155 +ve
156 Zinc_18099446 -10
157 Zinc_1866283 +ve
158 Zinc_2005072 +ve
159 Zinc_2021474 +ve
160 Zinc_2075 +ve
161 Zinc_2282 +ve
162 Zinc_323 +ve
163 Zinc_33838895 +ve
164 Zinc_38139853 +ve
165 zinc_3820029 +ve
166 zinc_3826221 +ve
167 zinc_3830606 +ve
168 zinc_3830815 +ve
169 zinc_3831354 +ve
170 zinc_3831616 +ve
171 zinc_3876173 +ve
172 zinc_3977777 +ve
173 zinc_3977978 +ve
174 zinc_4097406 -22.3
175 zinc_4098749 +ve
176 zinc_4212809 +ve
177 zinc_4212843 +ve
178 zinc_4213372 +ve
179 zinc_4213474 +ve
180 zinc_4215415 +ve
181 zinc_4217176 +ve
182 zinc_4454 +ve
183 zinc_4498304 -5.1
184 zinc_4626657 +ve
185 zinc_4655341 +ve


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186 zinc_49141 +ve
187 zinc_49142 +ve
188 zinc_538627 +ve
189 zinc_538658 +ve
190 zinc_56790 -3.8
191 zinc_57412 +ve
192 zinc_590964 +ve
193 zinc_597502 +ve
194 zinc_602086 +ve
195 zinc_608008 +ve
196 zinc_8766760 +ve
197 zinc_901109 +ve

Out of all these results, only 7 molecules were selected for practical work
(Acetaminophen, Acetylsalicylic Acid, Acetic Acid, Diacetyl, Ferric
Ammonium Citrate, Ibuprofen, Thymol). Their docking results are
displayed in the figures below:


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Minimum binding
energy= -5.369

Figure 4.11 Acetaminophen docking results


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Minimum binding
energy= -0.05

Figure 4.12 Acetylsalicylic Acid docking results


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Minimum binding
energy= -23.01

Figure 4.13 Acetic Acid docking results


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Minimum binding
energy= -12.626

Figure 4.14 Diacetyl docking results


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Minimum binding
energy= -4.455

Figure 4.15 Ferric Ammonium Citrate docking results


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Minimum binding
energy= -11.998

Figure 4.16 Ibuprofen docking results

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