Abstract: Leishmaniasis, being one of the Neglected Diseases, has very insignificant global Research and development attention. There is a need to employ in silico bioinformatics tools in support of pharmacological screening to expedite the drug development process with optimal success rate. The present in silico studies revealed that punaglandin 3 and kalihinol X isolated from the soft coral Telesto riisei and Fijian sponge species of Acanthella sp., respectively showed promising antileishmanial activity, thereby, saving a substantial amount of time, energy and resources which would have otherwise been wasted, in random pharmacological screening of marine samples with no surety of targeting a right sample for a right screen.