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Insilico Docking of Camptothecin with the Pathological Mediators of Rheumatoid Arthritis

DOI : https://doi.org/10.36349/easjpp.2020.v02i01.004
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Background: Rheumatoid arthritis (RA) is an autoimmune disease of complex etiology and two main principal substances such as matrix metalloproteinases and cathepsins play a crucial role in the loss of cartilage and joint destruction in RA. Camptothecin a topoisomerase 1 inhibitor has been found to inhibit angiogenesis, synoviocyte proliferation and metalloproteinases (gelatinases). Aim: To carry out insilico docking of camptothecin with various pathological mediators of RA using Autodock 4.2. Materials and Methods: camptothecin ligand was drawn in chemsketch and converted in to pdb. Various target proteins was obtained from RCSB PDB. Gpf and dpf parameters were created and autogrid and autodock was carried out. Binding energy was assessed based on their ranking order and the interactions of ligand and protein was determined from root mean square deviation table. Results: Our study results showed that camptothecin exhibited negative binding energy for proteins such as mitogen activated protein kinase (MAPK), nuclear factor kappa B (NFкB), tumor necrosis factor alpha (TNF-α), matrix metalloproteinases (collagenases,stromelysins, matrilysins), cathepsins and with enzyme involved in inflammatory pathway such as cyclooxygenase 1 and 2. Conclusion: By inhibiting MAPK, NFкB, TNF-α, metalloproteinases and cathepsins camptothecin might have an anti-arthritic and also anti-inflammatory activity. However this study warrants further in-vitro and in-vivo studies to establish the anti-arthritic activity.

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Dr. Afroza Begum

Lecturer, Dept. of Pharmacology and Therapeutics, Shaheed Monsur Ali Medical College & Hospital, Uttara, Dhaka-1230, Bangladesh

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