INTRODUCTION Metastasis is a crucial aspect of cancer. Macrophage stimulating protein (MSP) is a single chain protein and can be cleaved by serum proteases. MSP has several roles in metastasis. In this in silico study, MSP as a metastatic agent was considered as a drug target. METHODS Crystallographic structure of MSP was retrieved from protein data bank. To find a chemical inhibitor of MSP, ...

Ricin is known as a potent toxin against animals. It consists of two chains, Ricin Toxin A (RTA) and Ricin Toxin B (RTB). The toxic effect is known to be caused by RTA. Inhibitors for RTA with less efficiency have been reported. Hence, it is of interest to identify new inhibitors. Virtual screening methods (computer aided drug designing) to find similar molecules in drug database were used for ...

Heliannuol is a sesquiterpene that has benzoxepine ring, oxepin. Many derivatives of compounds show anticancer activity by inhibiting the phosphoinositide 3-kinase (PI3K) enzyme. These enzymes play role in cell proliferation and growth. The study aims to predict physicochemical properties using Lipinski’s Rule Five parameters on 3- kinase (PI3K/Mtor; PDB 5OQ4) enzyme toxicity A, B, C, D, E comp...

Demam berdarah Dengue (DBD) merupakan penyakit tropis yang diakibatkan oleh gigitan nyamuk terinfeksi virus DENV. Beberapa tanaman herbal dapat digunakan untuk mengatasi demam baik upaya preventif maupun kuratif. Kayu secang salah satu kayu memiliki berbagai aktivitas biologis, utamanya sebagai immunomodulator dan antivirus. Penelitian ini bertujuan mengidentifikasi brazilin 3-O-methyl obat ter...

Citrus maxima or pomelo is a plant that has potential as an anticancer because it contains flavonoids. One of the targets breast receptors HER-2 protein. This research aims to determine activity, toxicity compound, and prediction physicochemical properties flavonoids contained in through silico approach. Flavonoid compounds were screened using SwissADME with Lipinski's rule five, Torsion, TPSA,...

Acquired immunodeficiency syndrome (AIDS) is a disease of the human immune system caused by the human immunodeficiency virus (HIV). The integrase (IN) enzyme of HIV interacts with several cellular and viral proteins during the integration process. Thus, it represents an appropriate target for antiretroviral drugs (ARVs). We performed virtual screening of database compounds and designed analogue...

Superoxide dismutase play important roles in iron-respiratory bacteria such as Geobacteraceae as an antioxidant defense, and probably an effective enzyme of electron transfer network. Regarding the application of iron-respiratory bacteria in environmental biotechnology particularly biodegradation and bioremediation, understanding the mechanism of inhibition/induction of superoxide dismutase by ...

Introduction and Aim: Andrographolide is one of the main constituents Andrographis paniculata. An anti-collagenase property andrographolide yet to be explored. Thus, primary goal study assess andrographolides against standard bacterial collagenase. The secondary objective evaluate molecular docking between proteins periodontal pathogens [P. gingivalis (Arg Lys Gingipains), P. intermedia A. acti...