Stella Maris College

About: Stella Maris College is a based out in . It is known for research contribution in the topics: Band gap & Colloidal gold. The organization has 171 authors who have published 174 publications receiving 1436 citations.

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

Abstract: Phytochemicals of medicinal plants encompass a diverse chemical space for drug discovery. 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 computational approaches towards natural product based drug discovery. In this direction, we present, IMPPAT, a manually curated database of 1742 Indian Medicinal Plants, 9596 Phytochemicals, And 1124 Therapeutic uses spanning 27074 plant-phytochemical associations and 11514 plant-therapeutic associations. Notably, the curation effort led to a non-redundant in silico library of 9596 phytochemicals with standard chemical identifiers and structure information. Using cheminformatic approaches, we have computed the physicochemical, ADMET (absorption, distribution, metabolism, excretion, toxicity) and drug-likeliness properties of the IMPPAT phytochemicals. We show that the stereochemical complexity and shape complexity of IMPPAT phytochemicals differ from libraries of commercial compounds or diversity-oriented synthesis compounds while being similar to other libraries of natural products. Within IMPPAT, we have filtered a subset of 960 potential druggable phytochemicals, of which majority have no significant similarity to existing FDA approved drugs, and thus, rendering them as good candidates for prospective drugs. IMPPAT database is openly accessible at: https://cb.imsc.res.in/imppat .

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

Abstract: 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.

Electromagnetic Properties and Humidity-Sensing Studies of Magnetically Recoverable LaMg x Fe 1−x O 3−δ Perovskites Nano-photocatalysts by Sol-Gel Route

Abstract: Nanostructured perovskite mixed metal oxides, LaMg x Fe1−x O 3−δ (x= 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0), were synthesized successfully by a simple sol-gel route. The formation of single-phase perovskite oxides structure was confirmed by powder X-ray diffraction (XRD) analysis. The average crystallite size of the samples was evaluated using Sherrer’s formula. The presence of functional groups and metal oxide bonds was confirmed by Fourier transform infrared (FT-IR) analysis. Brunauer-Emmett-Teller (BET) surface adsorption studies showed better surface area of the compositions, which was further, evidenced by scanning electron microscopy (SEM) analysis. Room temperature vibrating sample magnetometer (VSM) analysis was confirmed that the superparamagnetic nature and the magnetization values decreased with increase in Mg-dopant. The samples were subjected to dc electrical conductivity studies at room temperature. The dc resistance measurements as a function of relative humidity (RH) at 5, 31, 51, 79, and 98 % were carried out on sintered discs at 25 ∘C under static conditions, which sensitivity factor S f (R 5% / R 95%) were calculated for LaMg x Fe1−x O 3−δ . The temperature-dependent conductance was also carried out in the range of 100–300 ∘C as suggested, and the activation energy was determined. Sample LaMgFe-4 (x= 0.6) possessed the highest humidity-sensing factor (12,926.03 ± 387), while LaFeO3 (x= 0) possessed the lowest sensitivity factor (41.66 ± 3). The response and recovery characteristics were studied for LaMgFe-4, which exhibited a very good narrow hysteresis loop. The photocatalytic degradation (PCD) of methylene blue (MB) dye was investigated under UV-visible light and the sample LaMgFe-4 showed better PCD efficiency than other samples, due to the smaller particle size and higher surface area.