Paper Title
HPTLC, FTIR, GC-MSANALYTICAL STUDIES ON THE LEAVES OF POLYALTHIA SUBEROSA (ROXB.) THWAITESEVIDENCED WITH INVITRO ANTI TBAND COMPUTATIONALMODEL STUDIES
Abstract
The native community uses traditional knowledge to treat diseases through trial and error. This process has been practiced for centuries, indicating the importance of medicinal plants since the beginning of human civilization. The primary aim of the current investigation was to ascertain the presence of phytochemicals in the leaves of Polyalthia suberosa (Roxb.) Thwaites of such by employing cold maceration with hexane, chloroform, and methanol solvents for the extraction process. An endeavour was made to explore the phytochemical profile for all the three extracts throughHPTLC fingerprinting, FTIR and GC-MS analysis. The peaks obtained showed the presence of many therapeutic phytocompounds. P. suberosa has demonstrated various medicinal benefits. Further an in-vitro study was conducted to assess its anti-tubercular activity using the MABA method in Mycobacterium tuberculosis (H37RV strain). Hexane extract exhibited good activity at MIC-12.5 µg/ml; also,methanol and chloroform extractspossessedMIC at 25 μg/ml.In silico appraisal provided further details on selected pharmaceutically potential compounds from GC-MS exhibited from methanolic extract on the M. tuberculosis Mtb Pks13 Thioesterase (PDB ID: 5V3Y)enzymes with respect to isoniazid, which discovered10 phytocompounds with good Etotal (-6.00 to -9.69), as well as favourable drug likeness and ADMET properties.Among these,phytocompound ‘Longipinane’ revealed a promising Etotal and is considered as a safe synthetic alternative for further investigation. Future research is needed to study the characteristics of specific compounds and fractions especially hexane extractalong with the importance for biological functions.
Keywords - Polyalthiasuberosa, GC-MS,MABA, anti TB,in silico, ADMET, longipinane.