Effects of a Nutrient Mixture Based on Molecular Docking on Bone Marrow Hematopoietic Function in Mice with Aplastic Anemia
YU Jingda
YU Jingru
HAN Jing
DONG Hong
ZHANG Peng
LIU Yanru
Abstract：Objective To screen nutrient mixture(NM)based on molecular docking that promote hematopoiesis,and to explore its effect on bone marrow hematopoiesis in mice with aplastic anemia(AA)induced by chloramphenicol/X-ray/cyclophosphamide.Methods AutodockVina was used to perform molecular docking on 23 NM with granulocyte macrophage colony-stimulating factor(GM-CSF),macrophage colony-stimulating factor(M-CSF),granulocyte colony-stimulating factor(G-CSF)and erythropoietin(EPO),and high-affinity components(e.g.,catechins)were screened and the composition was formulated.An AA model in BALB/c mice was created by induction of chloramphenicol gavage+X-ray irradiation+cyclophosphamide injection.They were divided into the model group(n=40)and composition treatment group(n=40).Another 40 mice treated with blank control were included in the normal group(n=40).Mice in the composition treatment group were given a nutritional composition gavage intervention for 43 days.Peripheral blood routine,bone marrow nucleated cell count,colony formation and Ki67-positive rate were detected,and changes in bone marrow mitochondria were observed under transmission electron microscopy.Results Compared with the model group,the peripheral blood indexes of the composition treatment group were significantly improved,including the hemoglobin(163.26±30.81 vs 78.01±18.89 g/L),red blood cell count(9.57±2.08 vs 4.26±1.05×1012/L),and white blood cell count(7.46±2.15×1012 vs 2.31±0.48×109/L).They were basically restored to normal levels(P＜0.05).The number of bone marrow nucleated cells(8.75±2.94 vs 2.11±0.83×1012/femur)and colony number(42±7 vs 19±4)significantly increased.The Ki67-positive rate indicated that the proliferation ability was restored,and the number of mitochondria(7.50±1.50 vs 4.00±0.50)was close to that of the normal group(9.00±0.50).Conclusion The NM based on molecular docking via computer aided drug design can repair the peripheral blood cell damage of AA mice by improving the proliferation and differentiation of bone marrow cells,and its effect may be related to promoting mitochondrial division.
Keywords：Molecular dockingAplastic anemiaComputer aided drug design(CADD)BALB/c mice
Publication Date：2025-02-20
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：8( 192-199 )