• B.N.B.vaidehi
• Karri Shobha Rani
• G.Bharathi

One common treatment for Myelofibrosis is Ruxolitinib, an inhibitor of Janus kinase. The primary goal of the research is to create a powerful Janus kinase inhibitor with less side effects than the parent medication Ruxolitinib for cancer treatment. Eight derivatives of Ruxolitinib that have the extra groups (a change in the C-2 position) with -Cl, -Br, -F, -OCH3, -CH3, - NO2, -NH2,-CN significantly inhibit the JAK protein; their binding affinities are -6.88,-7.50,-5.36,-6.58,-5.53,-6.99,-7.28, and -5.90 kcal/mol each. The non-covalent interactions between the drug molecules and the amino acid residues of JAK are thoroughly examined at intramolecular and intermolecular levels. SWISS ADMET, Molinspiration, and pkCSM did ADMET studies of all Ruxolitinib derivatives. Finally, our results suggest that Ruxolitinib analogs may target the Janus Kinase enzyme more effectively than the parent drug. The mechanism for RX-3 & RX-8 as a Ruxolitinib derivative for treating myelofibrosis must be investigated and synthesized further.

Myelofibrosis, Ruxolitinib, interactions, hydrophobicity.

"Insilico approaches for Ruxolitinib derivatives as Janus kinase Inhibitors", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.12, Issue 1, page no.b479-b494, January-2025, Available :http://www.jetir.org/papers/JETIR2501181.pdf

"Insilico approaches for Ruxolitinib derivatives as Janus kinase Inhibitors", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.12, Issue 1, page no. ppb479-b494, January-2025, Available at : http://www.jetir.org/papers/JETIR2501181.pdf