Paper Title
PHYTOCHEMICAL VALIDATION AND ISOLATION OF POTENT COMPOUND AGAINST TB AND LUNG CANCER ASSERTED WITH IN SILICO STUDIES ON THE LEAVES OF POLYALTHIA SUBEROSA (ROXB.) THWAITES

Abstract
P. suberosa belonging to Annonacea family has demonstrated various medicinal benefits.Theprimary aim of the current investigation was to establish the presence of phytochemicals in the leaves of Polyalthiasuberosa (Roxb.) Thwaitesby employing cold maceration with hexane, chloroform, and methanol solvents for the extraction process. Analytical studies was performed to explore the phytochemical profile for all the three extracts throughHPTLC fingerprinting, FTIR and GC-MSdatas. The peaks obtained showed the presence of many therapeutic phytocompounds validating the extracts for reproducibility and its pharmacological potential.Marker sample Phytol also estimated in all three extracts using HPTLC.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 MIC12.5µg/ml; also,methanol and chloroform extractspossessedMIC at 25 μg/ml.Further hexane extract was subjected for isolation studies using column chromatography on increasing solvents polarity ratios (Hexane, dichloromethane, ethylacetate and methanol). Using TLC, separation of compounds were observed and Re-isolation of Hexane:Ethylacetate 9:1 fraction yielded two pure compounds with Rf 0,8, 0.3 by running Hexane:Dichloromethane8:2. Compound with Rf value 0.3 showed MIC 6.25 µg/mlagainst anti tubercular activity and attempted MTT assay to check anticancer potential of the compound proved to be potent drug on Lung cancer cell line A549showingaverage activity 92% cell viability at 10 µg/ml. Further toxicity study on Danio rerio proved the isolated compound was non-toxic at 5 µg/ml which may be accepted for oral administration.In silico appraisal provided further details on selected pharmaceutically potential compounds from GC-MS exhibited from hexane extract on theM. tuberculosisMtb Pks13-TE PDB:7VJTenzymes with respect to isoniazidand anticancer target G810A mutant of RET protein tyrosine kinase PDB:6NE7 usingcisplatin as standard which discoveredfivephytocompounds with good binding energy as well as favourable drug with likeness and ADMET properties.Among these,phytocompound ‘Neophytadiene’ revealed a promising Etotal and is considered as a safe synthetic alternative for further investigation. Futureresearch is needed for finding out the structure of isolated compounds by NMR spectroscopy studies and clinical studies to bring the compound to light for humanbenefit. Keywords - Polyalthiasuberosa, GC-MS, Hexane, Isolation, MABA, MTT, Danio Rerio, In Silico, ADMET, Neophytadiene