Virtual screening–molecular docking–activity evaluation of Ailanthus altissima (Mill.) swingle bark in the treatment of ulcerative colitis

Ma, Shan-bo; Liu, Lun; Li, Xiang; Xie, Yan-hua; Shi, Xiao-peng; Wang, Si-wang

doi:10.1186/s12906-023-03991-0

BMC Complementary Medicine and Therapies

Table 2 Molecular docking function scoring and ranking results

From: Virtual screening–molecular docking–activity evaluation of Ailanthus altissima (Mill.) swingle bark in the treatment of ulcerative colitis

EGFR	Affinity kcal/mol	IL-1R	Affinity kcal/mol	TGFR	Affinity kcal/mol	TLR1	Affinity kcal/mol	Wnt8	Affinity kcal/mol
MOL006315	−8.7	MOL006284	−8.0	MOL000422	−9.2	MOL006284	−7.7	MOL006284	−8.5
MOL006301	−8.5	MOL006310	−7.8	MOL006311	−8.9	MOL006277	−7.6	MOL006278	−8.4
MOL006277	−8.4	MOL006277	−7.7	MOL006315	−8.7	MOL006278	−7.6	MOL006279	−8.1
MOL006302	−8.4	MOL006285	−7.7	MOL006303	−8.6	MOL006300	−7.4	MOL006309	−8.0
MOL006308	−8.4	MOL006309	−7.6	MOL006304	−8.6	MOL006294	−7.2	MOL006310	−7.9
MOL000422	−8.3	MOL006278	−7.5	MOL006301	−8.5	MOL006303	−7.2	MOL006277	−7.7
MOL006304	−8.3	MOL006281	−7.1	MOL006302	−8.5	MOL006310	−7.1	MOL006294	−7.7
MOL006306	−8.2	MOL006315	−7.1	MOL006306	−8.5	MOL006280	−7.0	MOL006280	−7.3
MOL006311	−8.2	MOL000422	−6.9	MOL006284	−8.4	MOL006301	−6.9	MOL006281	−7.1
MOL006314	−8.2	MOL006311	−6.8	MOL006300	−8.4	MOL006306	−6.9	MOL006311	−7.1
MOL006300	−8.1	MOL006279	−6.7	MOL006314	−8.4	MOL006314	−6.9	MOL006315	−7.1
MOL006284	−8.0	MOL006280	−6.5	MOL006277	−8.2	MOL006285	−6.8	MOL000422	−7.0
MOL006303	−8.0	MOL006276	−6.3	MOL006308	−8.2	MOL006309	−6.8	MOL006285	−7.0
MOL006310	−8.0	MOL006294	−6.1	MOL006280	−7.7	MOL006315	−6.8	MOL006276	−6.8
MOL006309	−7.9	MOL006303	−6.0	MOL006310	−7.7	MOL006304	−6.7	MOL006302	−6.7
MOL006285	−7.8	MOL006304	−6.0	MOL006278	−7.4	MOL006279	−6.6	MOL006301	−6.4
MOL006279	−7.7	MOL006300	−5.9	MOL006279	−7.4	MOL006311	−6.6	MOL006306	−6.4
MOL006276	−7.6	MOL006302	−5.8	MOL006294	−7.3	MOL000422	−6.5	MOL006300	−6.3
MOL006280	−7.6	MOL006306	−5.8	MOL006276	−7.2	MOL006281	−6.3	MOL006303	−6.2
MOL006294	−7.6	MOL006308	−5.8	MOL006309	−7.2	MOL006276	−6.1	MOL006304	−6.2
MOL006278	−7.4	MOL006314	−5.8	MOL006285	−7.1	MOL006308	−6.0	MOL006314	−6.2
MOL006281	−6.5	MOL006301	−5.7	MOL006281	−7.0	MOL006302	−5.9	MOL006308	−6.1

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ISSN: 2662-7671

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