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This tree generally is used as traditional medicine for several ailments. In this research, the In Silico approach using molecular docking has been applied to 11 compounds from the Ficus religiosa to the cyclooxygenase-2 (COX-2) receptor. This study aimed to predict the ability of 11 compounds from the Ficus religiosa in inhibition COX-2 enzyme as a prostaglandin source. The detailed information was obtained using the molecular docking approach. Docking simulation for 11 compounds was executed through AutodockVina embedded in MGL Tools 1.5.6. The lowest binding energy of the complexes was visualized by using Discovery Studio (Biova) software. It was found that campesterol provided the lowest binding energy to COX-2, while kaempferol strongly was tied to TYR385 and SER530 of the receptor. The compounds containing anti-inflammatory effect have the lowest binding energy, and binds to the residue as native ligands. This result is indicated that the compounds from Ficus religiosa have potency as an anti-inflammatory agent. Still, advanced research is needed to examine more ligands from Ficus religiosa to isolate the best conformation.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Puwere chosen as the central metal to see the effect of the elements on the nature of the group and the same period and reviewed the effect of substituent groups pull and push the electrons to the electronic properties of complex metalloporphyrin. The DFT/B3LYP/LANL2DZ and TD-DFT calculation were used to generate the optimized structure of, electronic and photophysical properties. The parameter is an Eg complex compound, DOS, and electronic absorption spectra. The calculations showed electron donating complexes tend to be better as a semiconductor because it lowers Eg complex compounds metalloporphyrin, NH2 group gave the smallest Eg compared to other groups.