Department Of Pharmacology

Permanent URI for this communityhttps://kr.cup.edu.in/handle/32116/108

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Author: search.filters.author.Kumar, PraveenSubject: search.filters.subject.Antifungal

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    In Silico Study of the Structural Disruption of 14?-demethylase Induced by the Binding of Terminalia chebula Constituents
    (Bentham Science Publishers, 2023-07-11T00:00:00) Rani, Nidhi; Singh, Randhir; Kumar, Praveen; Verma, Nitin
    Background: Since ancient times, medicinal plants have been in use in medicine and daily life. Objective: To develop new antifungal compounds with low toxicity and high efficacy followed by high bioavailability, the constituents of Terminalia chebula were studied. Methods: The chemical constituents of the plant were evaluated for antifungal potential via Molergo Virtual Docker against the enzyme 14?-demethylase. Results: The study depicted that tannins exhibited very good potential against the enzyme and could be used further for lead development. Conclusion: The study revealed that the plant possessed various constituents with potential antifungal properties and low toxicity. � 2024 Bentham Science Publishers.
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    Molecular docking study of asafoetida phytoconstituents as 14?-demethylase and transpeptidase inhibitors
    (Nova Science Publishers, Inc., 2022-11-24T00:00:00) Rani, Nidhi; Singh, Randhir; Agrawal, Rohini; Kaur, Rajwinder; Kumar, Praveen
    Asafoetida, an oleo gum resin obtained from Ferula asafoetida of medicinal and nutritional importance. It has been traditionally used for the treatment of various ailments as spice and medicine from centuries. A number of phytoconstituents are present in Ferula asafoetida which are responsible for pharmacological properties. To evaluate to potential of Ferula asafoetida in the treatment of microbial infections, molecular modeling technique was utilized. 74 phytoconstituents of asafoetida were created from ACD Chem sketch software and PDBs for 14?-demethylase and transpeptidase were retrieved from RCSB PDB database. Docking studies were carried out using Mol Dock score software. All the prepared ligands were evaluated for drug likeliness properties using Swiss ADME. Among 74 compounds, Asacoumarin A was found to be good inhibitor of enzymes under investigation and can be a potential lead molecule for treatment of bacterial and fungal infections. � 2023 Nova Science Publishers, Inc.