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ABSTRACT

DOCKING STUDIES OF BIOACTIVE COMPOUNDS FROM MARINE

SPONGES (PORIFERA) AGAINST HER-2 RECEPTOR AS BREAST
ANTICANCER AND ADME PREDICTION
Siti Wanda Nurwanti, Najuah, Hefni Warnetty, Anggi Bintari, Addammashiddiq

*Akademi Farmasi Hang Tuah Jakarta

Correspondence Email: sitiwandanurwanti@gmail.com
Introduction:Marine sponge is natural marine materials which contain
bioactive compounds as anticancer. Many compounds have been isolated from
this biota, but only few information found regarding their activities. The samples
were Brocaenol A, Brocaenol B, Brocaenol C, Chrysoarticulins A,
Chrysoarticulins B, Chrysoarticulins C, Hippospongide A, Hippospongide B,
Hyrtiosal, Kuanoniamine A and Kuanoniamine C from marine sponge. The aimed
of research is to know that the test compounds can be used as breast anticancer
using the docking method. Besides, also made prediction ADME profile from the
test compounds. Methods: Docking simulation was performed by ArgusLab 4.0.1
for all compounds againts HER-2 receptor, a targeted receptor for breast cancer
treatment. ADME prediction of all compounds were performed by online
preAdmet. Results: Based on this experiment, all compounds could spontaneously
interact with HER-2 receptor. Brocaenol A had the strongest interaction with the
free energy of -7,77601 kcal/mol. All compounds were well absorbed.
Compounds that have a strong bond to plasma protein was Chrysoarticulins A,
Chrysoarticulins C, Hippospongide A, Hippospongide B, Hyrtiosal,
Kuanoniamine A. Conclusion :Brocaenol A had the strongest interaction against
HER-2 receptor. Compound test that have the most excellent ADME prediction is
Chrysoarticulins B.
Keyword : Marine Sponge, Breast Cancer, Docking, ADME
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Biography :
Siti Wanda Nurwanti was graduated as Bachelor of Pharmacy from ITB in 2012. Thus, one
year later She hold Master Degree from Biology Pharmacy ITB. She got high academic
achievement along study in Bachelor and Master Degree, graduated with Cumlaude
predicate.

Since 2015, She had a chance to be a lecturer in Hang Tuah Pharmaceutical College, a
private college in Indonesia. This college has been controlled by Indonesian Navy, we
have marine research center group study to support a research for this college and
Indonesian Navy. She had experience to teach some subject such as Basic chemistry,
Biochemistry, Biology Pharmacy, Pharmacognosy and Formulation for Liquid & Semisolid
Dosage Form. Moreover, She had experience to be supervisor for several research topics
like drug and cosmetic formulation and docking studies using ArgusLab software.