Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology

Abstract

The majority of the bioactives under investigation were predicted to target TNF receptor-associated factor 5 in the Janus kinase/signal transducers and activators of the transcription pathway. Similarly, druglikeness prediction identified vitexilactone to possess the highest druglikeness score, i.e., 0.88. Furthermore, proteins targeted in the Janus kinase/signal transducers and activators of transcription pathway were also predicted to regulate multiple pathways, i.e., ErbB, AGE-RAGE, NF-kappa B, Measles, insulin, mTOR, chemokine, Ras, and pathways associated with infectious and non-infectious pathogenesis, where the immune system is compromised. Similarly, the docking study identified sesaminol 2-O-β-D-gentiobioside to possess the highest binding affinity with 3CL pro , PL pro , and spike proteins. Furthermore, phylogeny comparison identified the common protein domains with other stains of microbes like murine hepatitis virus strain A59, avian infectious bronchitis virus, and porcine epidemic diarrhea virus CV777.

Network Pharmacology analysis of orally bioavailable SARS-COV2 protease inhibitor shows synergistic targets to improve clinical efficacy

“…Knowledge of these interactions will be essential to understand the safety and e cacy of PF32 as a supplement to that identi ed in clinical trials. [19][20][21] The target pro ling of PF32 indicated a fourfold selectivity towards proteases with an a nity (IC 50 : 26 to 41 nM) which was pharmacologically relevant. In the human tissue the a nity of PF32 was maximum towards Angiotensin-converting enzyme (ACE).…”

Evaluation of Immunomodulatory Effect of Aqueous Extract of Bauhinia variegata L. Leaves

“…The immune mechanism either triggers antibody development and/or apoptosis as a cell-mediated response to defend the body against foreign pathogens. 20,21 The natural adaptive system can be modified and improved by immunomodulating agents. In this context, a natural product was evaluated for immunomodulating activity in this study.…”

Network Pharmacology Analysis of Orally Bioavailable SARS-CoV-2 Protease Inhibitor Shows Synergistic Targets to Improve Clinical Efficacy

“…Knowledge of these interactions will be essential to understand the safety and efficacy of PF32 as a supplement to that identified in clinical trials. [19][20][21] The target profiling of PF32 indicated a fourfold selectivity towards proteases with an affinity (IC 50 : 26 to 41 nM) which was pharmacologically relevant. In the human tissue the affinity of PF32 was maximum towards Angiotensin-converting enzyme (ACE).…”