Predicting In Silico Which Mixtures of the Natural Products of Plants Might Most Effectively Kill Human Leukemia Cells?

Table 3

List of drugs predicted to form useful mixtures by significant Cscores, Dscores, and Combiscores.

(a) Singlet analysis

Compound	Cscore	Dscore	Combiscore
Aloe emodin	9.409090909	0.027118644	5.656302003
Chrysin	8.2	0.044067797	4.937627119
Honokiol	6.133333333	0.054237288	3.701694915
Mevinolin	5.35	0.020338983	3.218135593
Resveratrol	4.559259259	0.013559322	2.740979284
L-ascorbic acid 6-palmitate	2.376470588	0	1.425882353
Cholecalciferol	2.25	0.025423729	1.360169492
Limonene	2.230769231	0.018644068	1.345919166
Cerulenin	2	0.038983051	1.21559322
Retinyl palmitate	1.4	0.005084746	0.842033898
Aloe sin	−1	0.025423729	−0.589830508
Salicin	−10	0.052542373	−5.978983051
Barbaloin	−10	0.037288136	−5.985084746

(b) List of binary combinations selected by analysis

Compound	Cscore	Dscore	Combiscore
Aloe emodin + honokiol	10.33333333	2.125423729	7.050169492
Aloe emodin + Aloe sin	8.833333333	2.588135593	6.335254237
Aloe emodin + cholecalciferol	10.25384615	0.376271186	6.302816167
Aloe emodin + salicin	8.520754717	2.806779661	6.235164695
Aloe emodin + mevinolin	9.523076923	1.154237288	6.175541069
Aloe emodin + l-ascorbic acid 6-palmitate	8.968421053	1.637288136	6.035967886
Aloe emodin + cerulenin	9.561538462	0.610169492	5.980990874
Aloe emodin + barbaloin	8.520754717	1.93220339	5.885334186
Aloe emodin + retinylpalmitate	8.945454545	0.86440678	5.713035439
Aloe emodin + limonene	9.255932203	0.376271186	5.704067797
Aloe emodin + resveratrol	7.910344828	2.313559322	5.671630625
Chrysin + l-ascorbic acid 6-palmitate	8.711764706	0.503389831	5.428414756
Chrysin + cerulenin	8.784615385	0.284745763	5.384667536
Chrysin + salicin	7.838461538	1.672881356	5.372229465
Aloe emodin + chrysin	7.87704918	1.418644068	5.293687135
Chrysin + barbaloin	7.838461538	0.798305085	5.022398957
Mevinolin + chrysin	7.77704918	0.569491525	4.894026118
Cholecalciferol + chrysin	6.881481481	1.698305085	4.808210923
Honokiol + resveratrol	7.696296296	0.354237288	4.759472693
Honokiol + limonene	7.775	0.166101695	4.731440678
Mevinolin + resveratrol	6.824489796	1.46440678	4.680456589
Honokiol + chrysin	7.609836066	0.166101695	4.632342317
Honokiol + cholecalciferol	7.433333333	0.166101695	4.526440678
Mevinolin + honokiol	6.385714286	1.276271186	4.341937046
Honokiol + cerulenin	7.030769231	0.166101695	4.284902216
Mevinolin + limonene	6.885714286	0.305084746	4.25346247
Mevinolin + cholecalciferol	6.572727273	0.305084746	4.065670262
Honokiol + salicin	6.033333333	0.847457627	3.958983051
Mevinolin + salicin	5.15	1.957627119	3.873050847
…	…	…	…

(c) List of triple combinations selected by analysis

Compound	Cscore	Dscore	Combiscore
Aloe emodin + mevinolin + honokiol	12.00864198	1.866101695	7.951625863
Aloe emodin + honokiol + cholecalciferol	11.74146341	2.125423729	7.89504754
Aloe emodin + honokiol + cerulenin	11.49268293	2.047457627	7.714592807
Aloe emodin + cholecalciferol + chrysin	11.78888889	1.418644068	7.64079096
Aloe emodin + honokiol + limonene	11.15064935	2.125423729	7.540559102
Aloe emodin + honokiol + chrysin	11.15064935	1.777966102	7.401576051
Aloe emodin + Aloe sin + cholecalciferol	10.45384615	2.588135593	7.30756193
…	…	…	…
Mevinolin + chrysin + barbaloin	9.87704918	0.994915254	6.32419561
Aloe emodin + resveratrol + cerulenin	9.046376812	2.23559322	6.322063375
Mevinolin + chrysin + l-ascorbic acid 6-palmitate	10.06507937	0.7	6.319047619
Mevinolin + chrysin + cerulenin	10.11343284	0.569491525	6.295856312
Aloe emodin + mevinolin + l-ascorbic acid 6-palmitate	9.523076923	1.377966102	6.265032595
Aloe emodin + mevinolin + retinylpalmitate	9.733333333	0.991525424	6.236610169
Mevinolin + honokiol + limonene	9.433333333	1.276271186	6.170508475
Honokiol + limonene + resveratrol	10.02258065	0.354237288	6.155243302
Mevinolin + honokiol + resveratrol	9.464705882	1.140677966	6.135094716
Aloe emodin + Aloe sin + barbaloin	8.833333333	2.069491525	6.12779661
…	…	…	…