School Of Health Sciences
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Item 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, NitinBackground: 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.Item Antifungal synergistic effects and anti-biofilm formation activities of some bioactive 2,3-dihydro-1,5-benzoxazepine derivatives(Springer Science and Business Media Deutschland GmbH, 2022-12-26T00:00:00) Odame, Felix; Neglo, David; Sedohia, Daniel; Arthur, RichmondBenzoxazepines constitute a significant class of organic compounds extensively described in the literature. Several derivatives with pharmacological properties have been produced due to the semi-rigid azepine scaffold, which allows for the addition of other heteroatoms. This study investigated the possible antifungal effect and antioxidant activity of 2,3-dihydro-1,5-benzoxazepines. The antifungal effect was investigated using the broth dilution assay, while the antioxidant property was determined using the ABTS and DPPH scavenging tests. The results indicated that the 2,3-dihydro-1,5-benzoxazepine derivatives had antifungal properties and could be working via its fungicidal and biofilm inhibitory properties. It was also realized that it had synergistic effects when administered concomitantly with standard antifungal drugs. The antioxidant effects were high with 2,2-dimethyl-4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1,5-benzoxazepine (1) compared to the other derivatives. It could be concluded that 2,3-dihydro-1,5-benzoxazepines could possess fungicidal and possible antioxidant properties. And hence could serve as new drug leads in discovering novel drugs that could help manage fluconazole-resistant vulvovaginal candidiasis. � 2022, The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.Item 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, PraveenAsafoetida, 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.Item Assessment and identification of bioactive metabolites from terrestrial Lyngbya spp. responsible for antioxidant, antifungal, and anticancer activities(Institute for Ionics, 2023-09-09T00:00:00) Verma, Shaloo; Suman, Prabhat; Mandal, Somnath; Kumar, Roshan; Sahana, Nandita; Siddiqui, Nahid; Chakdar, HillolLyngbya from fresh and marine water produces an array of pharmaceutically bioactive therapeutic compounds. However, Lyngbya from agricultural soil is still poorly investigated. Hence, in this study, the bioactive potential of different Lyngbya spp. extract was explored. Intracellular petroleum ether extract of L. hieronymusii K81 showed the highest phenolic content (626.22 � 0.65 ?g GAEs g?1 FW), while intracellular ethyl acetate extract of L. aestuarii K97 (74.02 � 0.002 mg QEs g?1 FW) showed highest flavonoid content. Highest free radical scavenging activity in terms of ABTS�+ was recorded in intracellular methanolic extract of Lyngbya sp. K5 (97.85 � 0.068%), followed by L. wollei K80 (97.22 � 0.059%) while highest DPPH� radical scavenging activity observed by intracellular acetone extract of Lyngbya sp. K5 (54.59 � 0.165%). All the extracts also showed variable degrees of antifungal activities against Fusarium udum, F. oxysporum ciceris, Colletotrichum capsici, and Rhizoctonia solani. Further, extract of L. wollei K80 and L. aestuarii K97 showed potential anticancer activities against MCF7 (breast cancer) cell lines. GC-MS analyses of intracellular methanolic extract of L. wollei K80 showed the dominance of PUFAs with 9,12,15-octadecatrienoic acid, methyl ester, (Z,Z,Z) as the most abundant bioactive compound. On the other hand, the extracellular ethyl acetate extract of L. aestuarii K97 was rich in alkanes and alkenes with 1-hexyl-2-nitrocyclohexane as the most predominant compound. Extracts of Lyngbya spp. rich in novel secondary metabolites such as PUFAs, alkanes, and alkenes can be further explored as an alternative and low-cost antioxidant and potential apoptogens for cancer therapy. � 2023, The Author(s) under exclusive licence to Sociedade Brasileira de Microbiologia.