Chemical Constituents from Uapaca guineensis (Phyllanthaceae), and the Computational Validation of Their Antileishmanial and Anti-inflammatory Potencies

Table 3

Conventional hydrogen-bonds of the docked ligand-receptor-interaction.

Compounds	Conventional hydrogen-bonds (length in Å)
	1QCC	2XOX	6Y3C	1CX2
3	VAL:148 (4.93),	SER:146 (4.19),	GLU:454 (5.38),	ASN:382 (4.93),
	THR:154 (4.34)	ASN:147 (4.24)	GLN:203 (6.17)	THR:212 (3.86)
5	ARG:37 (5.22),	GLY:13 (3.44),	GLN:203 (4.35),	THR:208 (5.13)
	ALA:150 (3.74),	ARG:39 (4.77)	ASN:283 (4.88)
	THR:154 (3.99)
6	ALA:81 (3.57),	ARG:39 (4.96),	ASN:382 (4.13)	—
	ARG:82 (2.69),	HIS:36 (3.64),
	ASP: 147 (4.89),	LEU:66 (4.26)
	VAL:148 (4.12),
	THR:151 (3.68)
7	THR:154 (3.51)	SER:40 (3.96),	THR:313 (4.23),	HIS:214 (5.13),
		LYS:16 (3.83),	ASN:382 (4.25)	HIS:207 (4.66)
		ASN:147 (3.33)
Miltefosine	ALA:81 (4.39),	SER:146 (4.16)	VAL:349 (5.23)	HIS:207 (5.25)
	ARG:82 (3.31)
Aspirin	THR:154 (3.54),	SER:146 (4.40),	THR:206 (4.58)	TRP:387 (5.49),
	GLY:153 (3.56),	SER:146 (3.74)		ALA:202 (4.33)
	ALA:150 (3.62),
	GLY:152 (3.36)