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IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants

R. P. Vivek-Ananth, Karthikeyan Mohanraj, View ORCID ProfileAjaya Kumar Sahoo, View ORCID ProfileAreejit Samal
doi: https://doi.org/10.1101/2022.06.17.496609
R. P. Vivek-Ananth
aThe Institute of Mathematical Sciences (IMSc), Chennai 600113, India
bHomi Bhabha National Institute (HBNI), Mumbai 400094, India
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Karthikeyan Mohanraj
aThe Institute of Mathematical Sciences (IMSc), Chennai 600113, India
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Ajaya Kumar Sahoo
aThe Institute of Mathematical Sciences (IMSc), Chennai 600113, India
bHomi Bhabha National Institute (HBNI), Mumbai 400094, India
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Areejit Samal
aThe Institute of Mathematical Sciences (IMSc), Chennai 600113, India
bHomi Bhabha National Institute (HBNI), Mumbai 400094, India
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  • For correspondence: asamal@imsc.res.in
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Abstract

Compilation, curation, digitization and exploration of the phytochemical space of Indian medicinal plants can expedite ongoing efforts toward natural product and traditional knowledge based drug discovery. To this end, we present IMPPAT 2.0, an enhanced and expanded database, compiling manually curated information on 4010 Indian medicinal plants, 17967 phytochemicals, 1095 therapeutic uses and 1133 traditional Indian medicinal formulations. Notably, IMPPAT 2.0 compiles associations at the level of plant parts, and provides a FAIR compliant non-redundant in silico stereo-aware library of 17967 phytochemicals from Indian medicinal plants. The phytochemical library has been annotated with several useful properties to enable easier exploration of the chemical space. We also filtered a subset of 1335 drug-like phytochemicals of which majority have no similarity to existing approved drugs. Using cheminformatics, we have characterized the molecular complexity and molecular scaffold based structural diversity of the phytochemical space of Indian medicinal plants, and performed a comparative analysis with other chemical libraries. Altogether, IMPPAT is the largest phytochemical atlas of Indian medicinal plants which is accessible at: https://cb.imsc.res.in/imppat/.

Competing Interest Statement

The authors have declared no competing interest.

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  • https://cb.imsc.res.in/imppat/

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The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. All rights reserved. No reuse allowed without permission.
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Posted June 18, 2022.
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IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants
R. P. Vivek-Ananth, Karthikeyan Mohanraj, Ajaya Kumar Sahoo, Areejit Samal
bioRxiv 2022.06.17.496609; doi: https://doi.org/10.1101/2022.06.17.496609
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IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants
R. P. Vivek-Ananth, Karthikeyan Mohanraj, Ajaya Kumar Sahoo, Areejit Samal
bioRxiv 2022.06.17.496609; doi: https://doi.org/10.1101/2022.06.17.496609

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