Biology subjects

Aparna, S. R.

Publications and source records attributed to Aparna, S. R..

4 recordsLinked to original sources

bioRxiv2021

NeurotoxKb: compilation, curation and exploration of a knowledgebase of environmental neurotoxicants specific to mammals

Exposure to environmental neurotoxicants is a significant concern due to their potential to cause permanent or irreversible damage to the human nervous system. Here, we present the first dedicated knowledgebase, NeurotoxKb, on environmental neurotoxicants specific to mammals. Using a detailed workflow, we have compiled 475 potential non-biogenic neurotoxicants from 835 published studies with evidence of neurotoxicity specific to mammals. A unique feature of NeurotoxKb is the manual curation effort to compile and standardize the observed neurotoxic effects for the potential neurotoxicants from 835 published studies. For the 475 potential neurotoxicants, we have compiled diverse information such as chemical structures, environmental sources, chemical classification, physicochemical properties, molecular descriptors, predicted ADMET properties, and target human genes. To better understand the prospect of human exposure, we have explored the presence of potential neurotoxicants in external exposomes via two different analyses. By analyzing 55 chemical lists representing global regulations and guidelines, we reveal potential neurotoxicants both in regular use and produced in high volume. By analyzing human biospecimens, we reveal potential neurotoxicants detected in them. Lastly, a construction of the chemical similarity network and ensuing analysis revealed the diversity of the toxicological space of 475 potential neurotoxicants. NeurotoxKb is accessible online at: https://cb.imsc.res.in/neurotoxkb/.

pharmacology and toxicology↗

bioRxiv2020

ExHuMId: A curated resource and analysis of Exposome of Human Milk across India

Human milk is a vital source of nourishment for infants, containing nutrients, immunoprotective components, and bioactive substances. However, several environmental contaminants find their way into human milk. Although lactation physiology has been well documented, the effect of human milk contaminants on maternal and infant health remains unclear. Human milk is the major route of contaminant exposure to infants; these contaminants and their effects can themselves be considered an exposome. While there are chemical regulations in India and scientific literature on environmental contaminants is available, yet there is a lack of systematic compilation, monitoring, and risk management of human milk contaminants. We have harnessed the potential of this large body of literature to develop the Exposome of Human Milk across India (ExHuMId) containing detailed information on 101 environmental contaminants detected in human milk samples, studied across 13 Indian states, compiled from 36 research articles. ExHuMId also compiles the detected concentrations of the contaminants, structural and physicochemical properties, and factors associated with the donor of the sample. Here, we also present findings from a three-pronged analysis of ExHuMId and two other resources on human milk contaminants, with a focus on the Indian scenario. Through a comparative analysis with global chemical regulations and guidelines, we identify human milk contaminants of high concern, such as potential carcinogens, endocrine disruptors and neurotoxins. We then study the physicochemical properties of the contaminants to gain insights on their propensity to transfer into human milk. Further, we employ a systems biology approach to shed light on potential effects of human milk contaminants on maternal and infant health, by identifying contaminant-gene interactions associated with lactation, cytokine signalling and production, and protein-mediated transport. ExHuMId is accessible online at: https://cb.imsc.res.in/exhumid/.

pharmacology and toxicology↗

bioRxiv2020

An exploratory analysis of the current chemical regulations and guidelines from the perspective of endocrine disrupting chemicals using public resources

The regulatory assessment of endocrine disrupting chemicals (EDCs) is complex due to the lack of a standardized definition of EDCs and validated testing criteria. In spite of these challenges, there is growing scientific interest in EDCs which has resulted in the rapid expansion of published literature on endocrine disruption upon chemical exposure. Here, we explore how academic research leading to curated knowledgebases can inform current chemical regulations on EDCs. To this end, we present an updated knowledgebase, DEDuCT 2.0, containing 792 potential EDCs with supporting evidence from 2218 research articles. Thereafter, we study the distribution of potential EDCs across several chemical lists that reflect guidelines for use or regulations. Further, to understand the scale of possible exposure to the potential EDCs present in chemical lists, we compare them with high production volume chemicals. Notably, we find many potential EDCs are in use across various product categories such as Food additives and Food contact materials and Cosmetics and household products. Several of these EDCs are also produced or manufactured in high volume across the world. Lastly, we illustrate using an example how diverse information in curated knowledgebases such as DEDuCT 2.0 can be helpful in the risk assessment of EDCs. In sum, we highlight the need to bridge the gap between academic and regulatory aspects of chemical safety, as a step towards the better management of environment and health hazards such as EDCs.

pharmacology and toxicology↗

bioRxiv2017

IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics

Phytochemical constituents of medicinal plants encompass a diverse space of chemical scaffolds which can be used for rational design of novel drugs. India is rich with a flora of indigenous medicinal plants that have been used for centuries in traditional Indian medicine to treat human maladies. A comprehensive online database on the phytochemistry of Indian medicinal plants will enable the application of systems biology and cheminformatic approaches towards natural product based drug discovery. In this direction, we here present, IMPPAT, a manually curated database of Indian Medicinal Plants, Phytochemistry, And Therapeutics. IMPPAT contains 1742 Indian medicinal plants, 9596 phytochemicals and 1124 therapeutic uses which span across 27074 plant-phytochemical associations and 11514 plant-therapeutic associations. Notably, the curation effort led to a non-redundant in silico chemical library of 9596 phytochemicals with standard chemical identifiers and structure information. Using cheminformatic approaches, we have computed the physicochemical properties and drug-likeliness of the phytochemicals in IMPPAT which led to a filtered subset of 960 potential druggable phytochemicals. Moreover, a comparative analysis against FDA approved drugs suggests that majority of the druggable phytochemicals in IMPPAT are good candidates for novel prospective drugs as they have little or no structural similarity with existing drugs. The IMPPAT database is openly accessible at: https://www.imsc.res.in/~asamal/resources/imppat/home.

bioinformatics↗