Ann Colorectal Res 2021;9(1):32-39.
Bioactive Compounds as a Potential Inhibitor of Colorectal Cancer; an
insilico Study of Gallic acid and Pyrogallol
Debanjan Mitra
1
, Anumita Dey
1
, Ishita Biswas
1
, Pradeep Kumar Das Mohapatra
1
*
1
Department of Microbiology, Raiganj University, Raiganj, WB, India
Original Article
Introduction: Colorectal cancer (CRC) is one of the most deadly cancers in the world. The objective of this
investigation was to evaluate the protective efect of gallic acid and pyrogallol against CRC development.
Previous reports suggest that there is an association present between some tannase-producing bacteria and
CRC. Tannase is an enzyme that hydrolyzes tannic acid into gallic acid and pyrogallol. The present study
aimed to determine the potential therapeutic efect of these compounds in CRC.
Methods: The remedial efects of gallic acid and pyrogallol were studied by determining their descriptor
properties and applying molecular docking methods. A total of 100 CRC-causing protein structures were
docked in this investigation.
Results: The Lipinski Rule of Five and other descriptor properties of the mentioned compounds confrmed
their non-toxic and therapeutic nature. According to the molecular docking studies, both GA and pyrogallol
showed high binding energies with almost all studied proteins, with maximum values of -38.22 kJ/mol and
-33.6 kJ/mol being seen for gallic acid and pyrogallol, respectively.
Conclusion: This is the frst report on a docking investigation of a large numbers of CRC-related proteins.
According to our fndings, we conclude that gallic acid and pyrogallol are protective against CRC as they can
block the efects of numerous CRC-causing proteins.
Please cite this paper as:
Mitra D, Dey A, Biswas I, Das Mohapatra PK. Bioactive Compounds as a Potential Inhibitor of Colorectal Cancer; an insilico Study of
Gallic acid and Pyrogallol. Ann Colorectal Res. 2021;9(1):32-39. doi: 10.30476/ACRR.2021.89642.1080.
*Corresponding authors:
Pradeep Kumar Das Mohapatra
Department of Microbiology, Raiganj University, Raiganj, WB, 733134, India
Email: pkdmvu@gmail.com
Received: 06-01-2021
Revised: 19-04-2021
Accepted: 20-04-2021
Journal compilation © 2020 Annals of Colorectal Research, Shiraz University of Medical Sciences
Keywords: Colorectal cancer, descriptor properties, Molecular docking, Binding energy
Abstract
Introduction
C
olorectal cancer (CRC) is a very common type of
cancer in the world. Worldwide, CRC is ranked
second in males and third in females in terms of its
frequency. Furthermore, it is ranked fourth in males
and third in females for cancer-related death (1).
Genetic alteration is reported as one of the causes
of CRC progression (2). Many previous studies have
revealed that diferent pathways are involved in CRC
progression such as the Wnt/β-catenin pathway,
TGF-β signaling, PI3K signaling, and many genes
that control CRC progression (3). CRC progression
is divided into fve stages, namely early adenoma,
intermediate adenoma, late adenoma, colorectal
carcinoma, and metastasis. The Wnt/β-catenin