In Silico Antituberculosis Drug Designing using UCSF Chimera
Shabana Urooj1, Advaita Dhariwal2, Vandana Singh3, Fadwa M. Alrowais4
1Shabana Urooj*, Department of Electrical Engineering, College of Engineering, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia.
2Advaita Dhariwal, Department of Electrical Engineering, School of Engineering Gautam Buddha University, Greater Noida (UP) India.
3Vandana Singh, Department of Chemistry, School of Vocational Studies & Applied Sciences, Gautam Buddha University, Greater Noida (UP) India.
4Fadwa M. Alrowais Department of Computer Sciences, College of Engineering, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia.
Manuscript received on November 25, 2019. | Revised Manuscript received on December 15, 2019. | Manuscript published on December 30, 2019. | PP: 1820-1823 | Volume-9 Issue-2, December, 2019. | Retrieval Number: B2657129219/2019©BEIESP | DOI: 10.35940/ijeat.B2657.129219
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© The Authors. Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
Abstract: For the humans’ well-being, Mycobacterium Tuberculosis (MTB) is a fatal and adversary disease since years because of if its multidrug straining. MTB consumes nitrate as a substitute during breathing mechanism due to malingering of oxygen, therefore it increases the chances of survival. The nitrate/nitrite response (NarL) is a transcriptional governing protein. It is a two-constituent signal alteration mechanism used to stabilize nitrate enzyme that promote chemical drop and plan dehydrogenation. In this work, molecular docking using in-silico technique by benzofuran and naphthofuran byproducts has been performed. In-silico interaction of phosphodonors to NarL has been done. From the simulation results it is noticed that all compounds are binding to active site, therefore it is concluded that all benzofuran and naphthofuran byproducts partake on the dynamic site of NarL and are able to perform as leading molecule. To obtain results, SwissDock, UCSF Chimera and Protein–ligand Docking is majorly utilized.
Keywords: Docking, NaRL Protein, phosphodonors, protein-ligand, SwissDOCK, UCSF Chimera.