Molecular docking assisted exploration on solubilization of poorly soluble drug remdesivir in sulfobutyl ether-tycyclodextrin

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Table 1 Phase solubilization of RDV in SBE-β-CD in different pH media

SBE-β-CD Conc (mM)	pH1.5		pH 1.7		pH2.0		pH3.0		pH 3.5		pH 4.0
SBE-β-CD Conc (mM)	S	S/S₀	S	S/S₀	S	S/S₀	S	S/S₀	S	S/S₀	S	S/S₀
0.00	1.735	1	1.369	1	25 °C 0.707	1	0.087	1	0.033	1	0.038	1
11.56	8.542	5	7.507	5	5.710	8	0.871	10	0.432	13	0.301	8
23.12	15.926	9	12.614	9	8.406	12	1.253	14	0.602	19	0.458	12
46.24	26.460	15	19.689	14	11.827	17	1.897	22	0.968	30	0.883	23
92.48	39.646	23	24.427	18	14.701	21	3.001	35	1.467	45	1.608	42
184.95	52.206	30	29.939	22	18.887	27	4.667	54	2.465	76	2.836	75
					37 °C
0.00	2.355	1	1.521	1	0.745	1	0.084	1	0.046	1	0.035	1
11.56	9.250	4	8.573	6	5.869	8	1.130	14	0.505	11	0.369	11
23.12	16.117	7	13.357	9	8.996	12	1.498	18	0.721	16	0.616	18
46.24	26.754	11	23.641	16	11.983	16	2.077	25	1.272	28	1.102	32
92.48	44.248	19	30.012	20	14.280	19	3.071	37	2.330	51	2.130	62
184.95	59.824	25	42.636	28	17.663	24	5.983	72	4.744	104	4.377	127
					45 °C
0.00	2.352	1	1.594	1	0.927	1	0.109	1	0.060	1	0.047	1
11.56	9.385	4	8.280	5	5.538	6	0.841	8	0.529	9	0.397	9
23.12	15.239	6	14.319	9	8.662	9	1.222	11	0.786	13	0.511	11
46.24	24.685	10	21.357	13	13.484	15	2.104	19	1.700	29	1.502	32
92.48	36.319	15	27.591	17	16.003	17	2.920	27	2.100	35	1.865	40
184.95	42.998	18	30.422	19	26.649	22	3.935	36	3.139	53	4.154	89