2.5 Identification of phytochemicals from crude leaf extracts and fraction of S. mombin using GC-MS.
Our study was to find small molecules that could be docked to Marburg virus protein structure, identify the possible binding site(s) and find novel potential anti-Filoviral properties of the antiviral phytochemicals identified. Hence the use of GC-MS in our characterization of the phytochemicals. We based our characterization of the compounds obtained from the GC-MS chromatograms based on a library database using the name of the compound, molecular weight(g/mol), molecular formula, retention time (minutes) percentage area, physicochemical and pharmacokinetic properties, as well as reported biological activities. The conditions and procedures used in the GC-MS analysis are as follows: samples were analysed using the Shimadzu GCMS2010-SE with a Zebron ZB-5MSplus 0,25 um, 30 m x 0,25 mm column.
Six (6) rinses with Pre and Post-solvent, thereafter it was rinsed two times with the sample. The conditions of the analysis are Plunger Speed(Suction): High, Column Oven Temp. :40.0 °C, Injection Temp. :200.00 °C, Injection Mode :Split, Flow Control Mode :Linear Velocity, Pressure :72.3 kPa, Total Flow :10.9 mL/min, Column Flow :1.32 mL/min, Linear Velocity :41.5 cm/sec, Purge Flow :3.0 mL/min, Split Ratio :5.0, Carrier Gas Saver :ON, Carrier Gas Saver Split Ratio :5.0 and Carrier Gas Saver Time :1.00 min. Interpretation of mass spectrum GC-MS was conducted using the National Institute Standard and Technology (NIST) database, having more than 62,000 patterns.
2.7. Computational Methodology