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Homology Modeling and Drug Designing of Tumor Necrosis Factor14 Involved in Rheumatoid Arthritis
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| Author:
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CHITTEPU OBULA REDDY, KURAPATI RAJAGOPAL
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| Abstract:
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Tumor Necrosis Factor is an essential protein involved in Rheumatoid arthritis. In current research, the crystal
structure of 2ZPX is used as an example to build a three-dimensional model of STAT4 using Modeller software.
The final prototype is developed using techniques based on molecular mechanics and dynamics, and it is then
checked for accuracy using Procheck and Verify 3D graph programs. According to the results, it was found that
hydrocortison1 forms a hydrogen bond with TNF14 and observed to be more dominant inhibitor than other
drugs, and it. We also infer that the TNF14 domain's MET3, ARG4, and THR5 are three significant binding
residues based on our docking studies. Hydrogen bonding interactions account for a large part of the complex's
stability. Our findings may prove useful in future experiments.
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| Keyword:
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Modeling, Reumatoid arthritis, Tumor Necrosis Factor, docking studies.
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| EOI:
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| DOI:
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https://doi.org/10.31838/ijpr/2021.13.03.059
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| Download:
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Request For Article
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