Toxicity on Class of Antibiotic Agents Using Toxtree Software and Its Interaction with Its Receptors Using Molecular Virtual Docker Software

DOI

10.2991/hsic-17.2017.28How to use a DOI?

Keywords

Antibiotic, Carcinogenicity, Mutagenicity, Toxtree, Molegro Virtual Docker

Abstract

Antibiotics is a drug used to treat infections caused by bacteria that are often used in the practice of pharmacy. In addition to the therapeutic effect of antibiotics also have side effects. The most common side effects of diarrhea, but it also can cause serious effects if there are toxicophore groups in the antibiotic drug. Objective So the purpose of this study was to determine the drug class of antibiotics that are carcinogenic and mutagenic along with the group predicted to cause potential carcinogenic and mutagenic characteristics are based Toxtree, then know interaction group of carcinogenic and mutagenic antibiotics with receptor based MVD. The method used in silico that is antibiotic drug toxicity predicted with Toxtree and their interaction with the receptor is predicted with MVD. the result form this study that is from 131 antibiotic drug tested, there were 65 drug detected has a cluster of potentially carcinogenic and mutagenic. Then analysis related to the type of group causes carcinogenic and mutagenic showed that there were 10 toxicophor group with genotoxic mechanism and 4 toxicophor group with non-genotoxic mechanism. Result After testing the docking of 65 drugs there were 36 drug with their toxicophore group including farmacophore group that bind to amino acid receptors that kind of bond hydrogen bonds. Conclusions of this study are 36 antibiotics potentially carcinogenic and mutagenic characteristics on the human body.

Copyright

© 2017, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Download article (PDF)

TY  - CONF
AU  - Sovia Aprina Basuki
AU  - Neva Melinda Maulanasari
AU  - Engrid Juni Astuti
PY  - 2017/10
DA  - 2017/10
TI  - Toxicity on Class of Antibiotic Agents Using Toxtree Software and Its Interaction with Its Receptors Using Molecular Virtual Docker Software
BT  - Proceedings of the Health Science International Conference (HSIC 2017)
PB  - Atlantis Press
SP  - 175
EP  - 180
SN  - 2468-5739
UR  - https://doi.org/10.2991/hsic-17.2017.28
DO  - 10.2991/hsic-17.2017.28
ID  - Basuki2017/10
ER  -