IN SILICO DRUG TARGET IDENTIFICATION AND IT’S CHARACTERISATION IN ALISTIPES SPP. INVOLVED IN HUMAN COLORECTAL CANCER: A PAN GENOME ANALYSIS APPROACH Authors: Gupta D* And Saha P
ABSTRACT
Colorectal Cancer (CRC) is a global health problem and according to WHO (World Health Organization),
causing as many as 690,000 deaths per year. Among the factors involved in the progression of CRC (diet,
lifestyle, toxic habit, genetic and epigenetic effects) the gut microbiota play an important role in the health
of the colon and any dysbiosis of it may have a significant role in the outcome of CRC. Alistipes is one of
the bacterial genera involved in dysbiosis and formation of tumor. In this study, pan genome analysis of
total nine species of the genus Alistipes was performed through the software BPGA. The core proteome set
consists of 306 proteins of which 11 was found to be hypothetical. Out of those hypothetical proteins 5
proteins were found to be absent in human proteome and two of it also have no homologues in the beneficial
gut bacteria Lactobacillus spp. So out of these two proteins, may be suitable for future drug target, one was
found to be oligopeptide transporter protein. In silico sequence and structural analysis of this protein shows
that it has 668 amino acids with a molecular weight of 70 kDa, theoretical pI of 8.40, instability index (II)
of 25.12, aliphatic index is 115.99 and Grand average of hydropathicity (GRAVY) is 0.789. It’s in silico
predicted structure showed that it resembles the membrane bound protein with the combination of alpha-
helices, beta-sheets and coils. Molecular Dynamics Simulation of this protein was also performed; this
protein may be used as future drug target.
Keywords: Colorectal cancer, Alistipes spp., Pan Genome, Drug target, Oligopeptide transporter Publication date: 01/02/2024 https://ijbpas.com/pdf/2024/February/MS_IJBPAS_2024_7726.pdfDownload PDFhttps://doi.org/10.31032/IJBPAS/2024/13.2.7726