Research Article
4-Hydroxycoumarin Derivative: N-(diphenylmethyl)-2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide Interaction with Human Serum Albumin
Table 4
The calculated Mulliken population analysis (MPA) of the coumarin molecule with active site amino acids of HSA.
| MPA | MPA cofactor |
| 1N −0.38 | 51C −0.06 | 101C −0.06 | 1N −0.43 | 51O −0.28 | 101C 0.06 | 2C −0.05 | 52C −0.05 | 102C 0.32 | 2C −0.11 | 52C −0.18 | 102C −0.16 | 3C 0.16 | 53C −0.13 | 103C 0.08 | 3C 0.15 | 53C −0.09 | 103C 0.14 | 4O −0.24 | 54C −0.09 | 104C −0.10 | 4O −0.30 | 54C −0.05 | 104C 0.29 | 5C −0.20 | 55C 0.12 | 105C −0.14 | 5C −0.16 | 55C −0.05 | 105N −0.38 | 6C −0.27 | 56O −0.38 | 106C −0.03 | 6C −0.26 | 56C −0.09 | 106C 0.09 | 7C −0.09 | 57H 0.18 | 107C −0.09 | 7C −0.09 | 57C −0.06 | 107C −0.09 | 8N −0.44 | 58H 0.20 | 108C −0.09 | 8N −0.46 | 58C 0.12 | 108C 0.02 | 9C 0.68 | 59H 0.12 | 109C −0.09 | 9C 0.65 | 59O −0.41 | 109C −0.21 | 10N −0.45 | 60H 0.12 | 110C −0.06 | 10N −0.47 | 60H 0.25 | 110C 0.44 | 11N −0.46 | 61H 0.09 | 111C −0.07 | 11N −0.49 | 61H 0.19 | 111O −0.41 | 12H 0.15 | 62H 0.08 | 112C −0.09 | 12H 0.23 | 62H 0.12 | 112C 0.01 | 13H 0.10 | 63H 0.15 | 113C −0.09 | 13H 0.19 | 63H 0.08 | 113C 0.04 | 14H 0.09 | 64H 0.09 | 114C −0.10 | 14H 0.13 | 64H 0.12 | 114C 0.39 | 15H 0.11 | 65H 0.26 | 115C 0.00 | 15H 0.09 | 65H 0.08 | 115O −0.49 | 16H 0.14 | 66N −0.38 | 116H 0.11 | 16H 0.10 | 66H 0.08 | 116O −0.49 | 17H 0.12 | 67C −0.08 | 117H 0.12 | 17H 0.13 | 67H 0.10 | 117O −0.37 | 18H 0.14 | 68C 0.23 | 118H 0.17 | 18H 0.12 | 68H 0.08 | 118C −0.21 | 19H 0.14 | 69O −0.16 | 119H 0.11 | 19H 0.32 | 69H 0.10 | 119C −0.26 | 20H 0.27 | 70C −0.22 | 120H 0.13 | 20H 0.28 | 70H 0.19 | 120O −0.37 | 21H 0.25 | 71C −0.12 | 121H 0.13 | 21H 0.25 | 71N −0.45 | 121N −0.52 | 22H 0.26 | 72C −0.03 | 122H 0.15 | 22H 0.20 | 72C −0.07 | 122H 0.21 | 23H 0.24 | 73C −0.04 | 123H 0.26 | 23H 0.15 | 73C 0.19 | 123H 0.08 | 24H 0.28 | 74C −0.13 | 124H 0.15 | 24H 0.11 | 74O −0.28 | 124H 0.09 | 25N −0.49 | 75C −0.12 | 125H 0.07 | 25H 0.11 | 75C −0.21 | 125H 0.08 | 26C −0.05 | 76C 0.16 | 126H 0.09 | 26H 0.21 | 76C −0.06 | 126H 0.07 | 27C 0.03 | 77O −0.37 | 127H 0.09 | 27N −0.43 | 77C −0.04 | 127H 0.12 | 28O −0.30 | 78H 0.18 | 128H 0.09 | 28C −0.11 | 78C −0.07 | 128H 0.10 | 29C −0.24 | 79H 0.19 | 129H 0.10 | 29C 0.22 | 79C −0.12 | 129H 0.15 | 30C −0.20 | 80H 0.15 | 130H 0.08 | 30O −0.29 | 80C −0.08 | 130H 0.23 | 31C −0.27 | 81H 0.12 | 131H 0.09 | 31C −0.22 | 81C 0.13 | 131H 0.11 | 32C −0.26 | 82H 0.08 | 132H 0.09 | 32C −0.20 | 82O −0.37 | 132H 0.10 | 33H 0.16 | 83H 0.08 | 133H 0.09 | 33C −0.25 | 83H 0.24 | 133H 0.22 | 34H 0.14 | 84H 0.09 | 134H 0.11 | 34C −0.26 | 84H 0.19 | 134H 0.22 | 35H 0.10 | 85H 0.12 | | 35H 0.10 | 85H 0.12 | 135H 0.08 | 36H 0.09 | 86H 0.25 | | 36H 0.20 | 86H 0.07 | 136H 0.11 | 37H 0.11 | 87C −0.09 | | 37H 0.13 | 87H 0.11 | 137H 0.09 | 38H 0.10 | 88N −0.42 | | 38H 0.08 | 88H 0.07 | 138H 0.10 | 39H 0.09 | 89O −0.31 | | 39H 0.12 | 89H 0.08 | | 40H 0.10 | 90C −0.08 | | 40H 0.09 | 90H 0.09 | | 41H 0.10 | 91O −0.39 | | 41H 0.11 | 91H 0.12 | | 42H 0.10 | 92C −0.10 | | 42H 0.10 | 92H 0.14 | | 43H 0.10 | 93O −0.35 | | 43H 0.18 | 93H 0.19 | | 45N −0.39 | 94C 0.18 | | 44H 0.11 | 94C −0.07 | | 46C −0.08 | 95O −0.37 | | 45H 0.10 | 95C −0.08 | | 47C 0.24 | 96C −0.19 | | 46H 0.10 | 96C −0.06 | | 48O −0.16 | 97C 0.00 | | 47H 0.10 | 97C 0.10 | | 49C −0.20 | 98C 0.39 | | 48N −0.44 | 98C −0.15 | | 50C −0.15 | 99C −0.25 | | 49C −0.06 | 99C 0.20 | | | 100C 0.36 | | 50C 0.19 | 100N −0.39 | |
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