Deciphering the multi-scale mechanisms ofTephrosia purpureaagainst polycystic ovarian syndrome (PCOS) and its major psychiatric comorbidities: studies from network-pharmacological perspective

Abstract

Tephrosia purpurea (T. purpurea), a plant belonging to Fabaceae (pea) family, is a well-known Ayurvedic herb and is commonly known as Sarapunkha in traditional Indian medicinal system. Described as "Sarwa wranvishapaka", i.e. having capability to heal all types of wounds, it is particularly recognized for its usage in splenomegaly. Towards exploring the comprehensive effects of T. purpurea against polycystic ovarian syndrome (PCOS), its phytochemicals were extensively reviewed and their network pharmacology evaluation is carried out in this study. The complex regulatory potential of its 76 phytochemicals (PCs) against PCOS are enquired by developing and analyzing high confidence tripartite networks of protein targets of each phytochemical at both pathway and disease association scales. We also developed a highconfidence human PPI sub-network specific to PCOS, explored its modular architecture and probed the drug-like phytochemicals (DPCs) having multi-module regulatory potential. The proteins belonging to endocrine system were identified as major targets of the PCs. The study reports 30 DPCs based on ADMET and drug-like properties. Multi-targeting and synergistic capacities of the 12 DPCs against 10 protein targets were identified and evaluated using molecular docking and interaction analyses. The study concludes by highlighting a couple of DPCs as potential sources of PCOS regulators.

Extensive Exploration of Ayurvedic Herbs to Prioritize Anti-Viral Drugs Alike Phytochemicals Against SARS-CoV-2 Using Network Pharmacology

“…To achieve the desired list of PEP cov2 , their protein targets in the human-system were checked for the participation in cardiovascular diseases. To extract the high confidence disease association data, the Genedisease association (GDA) score (S) of 0.05 was chosen as threshold 44 PLA2G7 46 and PIK3CA 47 against various cardiac-related diseases, literature data is plenteous for the anti-viral activity of C_03212 48,49 . These findings suggest that future research endeavors towards exploring the anti-COVID-19 activity of C_03212 must be given a proper consideration and examined in detail as per the in-vivo and in-vitro studies.…”

Extensive Exploration of Ayurvedic Herbs to Prioritize Anti-Viral Drugs Alike Phytochemicals Against SARS-CoV-2 Using Network Pharmacology

“…To achieve the desired list of PEP cov2 , their protein targets in the human-system were checked for the participation in cardiovascular diseases. To extract the high confidence disease association data, the Genedisease association (GDA) score (S) of 0.05 was chosen as threshold44 so as to have a non-zero contribution from either of the C (curated data), M (animal model data) or I (inferred data), or a support of at least 5 publications. Thirty-six proteins among the 373 human targets of 129 PEP cov2 , were found to be involved in cardiovascular diseases within the desired cut-off score.The interactors specific to these 36 proteins were extracted from the Bi-regulatory PEP cov2 network, where they were found to have an association with 123 PEP cov2 and all the 24 SARS-CoV-2 proteins and presented as a sub-network specific to cardiovascular diseases with network size of 183 nodes and 1,471 edges (Supplementary Figure-3).…”