Browsing by Author "Kumar, Praveen"

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    Imidazole and Derivatives Drugs Synthesis: A Review
    (Bentham Science Publishers, 2022-11-22T00:00:00) Rani, Nidhi; Singh, Randhir; Kumar, Praveen
    Imidazoles have long held a special place in heterocyclic chemistry, and their derivatives have piqued interest in recent years due to their diverse chemistry and pharmacology fea-tures. Imidazole is a biologically and pharmaceutically important nitrogen-containing heterocy-clic ring. As a result, researchers have been interested in imidazole molecules. For a century and a half, purine, histamine, and other natural compounds all contained the imidazole ring. A number of imidazole drugs have been prepared and marketed for the treatment of various diseases. In view of this, we herein report a detailed account of synthetic procedures for various imidazole drugs. � 2023 Bentham Science Publishers.
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    In silico Studies of Plant-Derived Bioactive Compounds of Wedelia Species
    (Bentham Science Publishers, 2022-05-19T00:00:00) Rani, Nidhi; Dahiya, Randhir S.; Kumar, Praveen
    Background: In India, several types of plants have been researched for the treatment of various ailments. Wedelia species, belonging to the Asteraceae family, is one of the wonder plants that has been utilised in Unani, Ayurvedic, and Homeopathic treatment for a long time. Objective: The components of Wedelia species were investigated in order to create novel powerful anti-fungal drugs with low toxicity and high efficacy followed by high bioavailability. Methods: Molergo Virtual Docker was used to test the chemical components of the plant for antifungal potential against the enzyme 14-demethylase. Results: According to the findings, about fifteen compounds were identified as promising compounds with a high dock score and number of interactions. Conclusion: These compounds can further be isolated and worked upon for future research. � 2022 Bentham Science Publishers.
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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.
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    Natural Compounds as Potential Anti-COVID Agents
    (Bentham Science Publishers, 2022-04-05T00:00:00) Rani, Nidhi; Singh, Randhir; Kumar, Praveen; Sharma, Prerna; Sharma, Vikas
    Background: Since December 2019, COVID-19 has become a new health crisis in the world and has been declared a public health emergency of international concern by WHO. In search of anti-COVID treatment regimen, we applied molecular docking approach in order to identify the natural compounds that may have potential for anti-COVID treatment with specific target and selective inhibitory mechanism. Our goal is to identify the potential anti-COVID compounds based on virtual screening of the protein of spike glycoprotein as virtual inhibition target. Methods: Molecular docking was carried out by using Molergo Virtual Docker. 35 compounds from different plant sources were selected and docked in the enzyme pocket. Results: The docking result revealed that some of the compounds exhibited good potency against the virus and can be used further for developing new drug regimen. Conclusion: The compounds of natural origin could be a good target and can be used as lead compounds for the treatment of this dreadful disease. � 2023 Bentham Science Publishers.