Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer

Usman Sumo Friend; Arli Aditya Parikesit; Mochammad Arfin Fardiansyah Nasution; Amalia Hapsari; Djati Kirani

Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer

Usman Sumo Friend, Arli Aditya Parikesit, Mochammad Arfin Fardiansyah Nasution, Amalia Hapsari, Djati Kirani

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

The menace of cervical cancer has reached an alarming rate. There are more than 450.000 cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is caused by human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industry has produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamic acid). It inhibits class II HDAC Homo sapiens (HDACi). The utilization of SAHA has some side effects, one of which is bone loss. Thus, searching for viable alternatives aside SAHA is inevitable. The objective of this research is to investigate the molecular interaction of selected Indonesian natural products with class II HDAC Homo sapiens. LigX tool in MOE 2008.10 was used as an instrument to investigate the molecular interaction. Then, computer-aided drug discovery and development (CADDD) approach involving molecular docking and dynamics methods was utilized to screen the natural products library. In the end, we found that herbaric acid could act as a potential drug candidate for cervical cancer.

Original language	English
Article number	25
Pages (from-to)	1115-1129
Number of pages	15
Journal	Iranian Journal of Pharmaceutical Research
Volume	16
Issue number	3
Publication status	Published - 1 Jun 2017

Keywords

CADDD approach
Cervical cancer
HDAC
HDACi
Herbaric acid
Human papillomavirus (HPV)
Indonesian natural products

Cite this

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title = "Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer",

abstract = "The menace of cervical cancer has reached an alarming rate. There are more than 450.000 cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is caused by human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industry has produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamic acid). It inhibits class II HDAC Homo sapiens (HDACi). The utilization of SAHA has some side effects, one of which is bone loss. Thus, searching for viable alternatives aside SAHA is inevitable. The objective of this research is to investigate the molecular interaction of selected Indonesian natural products with class II HDAC Homo sapiens. LigX tool in MOE 2008.10 was used as an instrument to investigate the molecular interaction. Then, computer-aided drug discovery and development (CADDD) approach involving molecular docking and dynamics methods was utilized to screen the natural products library. In the end, we found that herbaric acid could act as a potential drug candidate for cervical cancer.",

keywords = "CADDD approach, Cervical cancer, HDAC, HDACi, Herbaric acid, Human papillomavirus (HPV), Indonesian natural products",

author = "Friend, {Usman Sumo} and Parikesit, {Arli Aditya} and Nasution, {Mochammad Arfin Fardiansyah} and Amalia Hapsari and Djati Kirani",

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Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer. / Friend, Usman Sumo; Parikesit, Arli Aditya; Nasution, Mochammad Arfin Fardiansyah et al.
In: Iranian Journal of Pharmaceutical Research, Vol. 16, No. 3, 25, 01.06.2017, p. 1115-1129.

Research output: Contribution to journal › Article › peer-review

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T1 - Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer

AU - Friend, Usman Sumo

AU - Parikesit, Arli Aditya

AU - Nasution, Mochammad Arfin Fardiansyah

AU - Hapsari, Amalia

AU - Kirani, Djati

PY - 2017/6/1

Y1 - 2017/6/1

N2 - The menace of cervical cancer has reached an alarming rate. There are more than 450.000 cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is caused by human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industry has produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamic acid). It inhibits class II HDAC Homo sapiens (HDACi). The utilization of SAHA has some side effects, one of which is bone loss. Thus, searching for viable alternatives aside SAHA is inevitable. The objective of this research is to investigate the molecular interaction of selected Indonesian natural products with class II HDAC Homo sapiens. LigX tool in MOE 2008.10 was used as an instrument to investigate the molecular interaction. Then, computer-aided drug discovery and development (CADDD) approach involving molecular docking and dynamics methods was utilized to screen the natural products library. In the end, we found that herbaric acid could act as a potential drug candidate for cervical cancer.

AB - The menace of cervical cancer has reached an alarming rate. There are more than 450.000 cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is caused by human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industry has produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamic acid). It inhibits class II HDAC Homo sapiens (HDACi). The utilization of SAHA has some side effects, one of which is bone loss. Thus, searching for viable alternatives aside SAHA is inevitable. The objective of this research is to investigate the molecular interaction of selected Indonesian natural products with class II HDAC Homo sapiens. LigX tool in MOE 2008.10 was used as an instrument to investigate the molecular interaction. Then, computer-aided drug discovery and development (CADDD) approach involving molecular docking and dynamics methods was utilized to screen the natural products library. In the end, we found that herbaric acid could act as a potential drug candidate for cervical cancer.

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KW - Cervical cancer

KW - HDAC

KW - HDACi

KW - Herbaric acid

KW - Human papillomavirus (HPV)

KW - Indonesian natural products

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Exposing the molecular screening method of indonesian natural products derivate as drug candidates for cervical cancer

Abstract

Keywords

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