Abstract
Facing worldwide challenges associated with multifactorial etiology of breast cancer, designing of combinatorial therapies using natural compounds is currently the emergent way of treating several cancers including breast cancer in a synergistic way, which may mitigate several problems associated with multiple receptor targeting. In this research, Estrogen receptor positive breast cancer was taken as prototype and several key receptors associated with this particular disease were targeted by virtual screening of natural compounds found in Indian originated medicinal plants using Computer aided Drug Designing (CADD) strategies. We found the combination of Carpusin, Paulownin Cornigerine, Nororientaline, Oryzalexin B, Romucosine H and Colchicine as effective against six potential receptors i.e. FGFR2, ESR1, PIK3CA, PIK3CB, PIK3CD and AR in Estrogen receptor positive breast cancer with their binding energies in the range of ∆G ≤ -8.0 Kcal/mol as well as significant number of common amino acid binding residues as compared with binding sites of receptors. Thus this research holds significant implications for the designing of combinatorial therapeutic agents against breast cancer which can be further tested in-vitro and in-vivo to prove their synergistic efficiency.
Highlights
The occurrence of cancer is related to several factors to which human expose, the complexity of which is an arduous challenge in the field of epidemiology due to which many epidemiologists around the world have been understanding and determining cancer's multifactorial etiology. [1] The complex interplay of several genetic and non-genetic factors have been clearly assessed in several researches that predispose to development of cancer
The associated genes for estrogen receptor (ER)(+)BC were screened using DisGenet in which we found total 510 associated genes, out of which 6 top genes (FGFR2, ESR1, PIK3CA, PIK3CB, PIK3CD, AR) were filtered on the basis of parameters like pLI, Scoregda, N.PMIDs as mentioned previously
Virtual screening of natural compounds found in Indian medicinal plants was done against the key receptors of Estrogen positive breast cancer
Summary
The occurrence of cancer is related to several factors to which human expose, the complexity of which is an arduous challenge in the field of epidemiology due to which many epidemiologists around the world have been understanding and determining cancer's multifactorial etiology. [1] The complex interplay of several genetic and non-genetic factors have been clearly assessed in several researches that predispose to development of cancer. Breast cancer has been described as multifactorial in occurrence in several epidemiological studies in which 90% cases occur due to the involvement of non-genetic factors, like environmental factors, major biological, chemical carcinogenic agents. To other potential treatments like hormone-based therapies like tamoxifen (Estrogen synthesis blocking agent) has been developed for breast cancer. [16] [17] In the recent Covid-19 pandemic due to novel coronavirus (SARS COV-2), started out around December 2019, there has been a declination in cancer research worldwide and a high chances of increasing comorbidities in patients during this era. According to recent safe guidelines of Canadian Association of Breast Imaging, delaying of breast cancer imaging and screening is needed to be avoid along with prevention of infection to the patients in Covid-19 pandemic. According to recent safe guidelines of Canadian Association of Breast Imaging, delaying of breast cancer imaging and screening is needed to be avoid along with prevention of infection to the patients in Covid-19 pandemic. [18] [19]
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