Browsing by Author "Sharma, Akanksha"

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    Anticancer activity of cassia fistula linn through invitro and insilicoapproach
    (Central University of Punjab, 2014) Sharma, Akanksha; Jaitak, Vikas
    Cassia fistula L. (Leguminoseae) is a plant species called "Aragvadha" that means "disease killer". C. fistula consists of plethora of medicinal properties. A detailed discussion is depicted of the therapeutic potential and chemical composition of C. fistula that is responsible for its highly important medicinal properties. C. fistula contains many chemical components like anthraquinones, anthocyanindins, proanthocyanidins, flavanoids, polyphenols, alkaloids, saponins, coumarins, tannins, etc. These constituents are reported to possess various biological properties such as antioxidant, antimicrobial, antidiabetic, antitumor, antimelasmic activities etc. In the current dissertation work we limited our study to cancer; specifically, Lung cancer (LC) and Breast cancer (BC) which are spread all over the world to a threatening level. The present study is an effort to contribute to such a multi-targeting moiety from the plant C. fistula, on the basis of in vitro and simulated analysis. To explore the anticancer activity of C. fistula; in vitro (cytotoxicity studies) on different extracts and in silico studies using MMGBSA (Molecular Mechanics - the Generalized Born model and Solvent Accessibility) on the earlier reported molecules was performed; to study protein - ligand binding interactions on four different targets. The different extracts (Petroleum v ether (SVA-1) (for defatting), Ethyl acetate (SVA-2), Methanol (SVA-3), Hydro- methanolic (SVA-4) Extracts) were prepared in order of their increasing polarity. In- vitro cytotoxicity studies done using MTT (3-(4, 5-dimethylthiazol-2-yl)-2,5- diphenyltetrazolium bromide) assay on the extracts of plant and their IC50 values were calculated. It was performed to identify plant's cytotoxic activity. Targets studied via performing in silico protein-ligand binding interactions of majorly mutated yet interlinked pathways of tyrosine kinase and serine/ threonine kinase family; that are namely EGFR, PI3K, Akt and mTOR receptors on which reported molecules of plant were studied. In silico studies were performed using maestro 9.6 Schrodinger software. MMGBSA and ADMET analysis were performed to discover and understand protein - ligand interactions between the chosen ligands of Cassia fistula and selected kinase receptors. On conducting MMGBSA (Molecular Mechanics ' the Generalized Born model and Solvent Accessibility) studies 5,3,4-tri-hydroxy-6-methoxy-7-O-?-L- rhamnopyranosyl-(1?2)-O-?-D-galactopyranoside along with few other moieties illustrated fine binding interactions against standard inhibitors of all the protein targets. From in vitro experiment, it was found that Hydromethanolic extract (SVA-4) showed prominent cytotoxicity against MCF-7, A-549 and H-460 cell lines particularly near 50?g/ml of concentration. Results were found in comparable with the NCI criteria limits for IC50 values of extracts obtained in assay. Also extracts were stable in DMSO solvent even when kept at the ambient temperature for 30 days and gave consistent results against cancer cell lines. As per the results of the in silico studies, the 5,3,4-tri- hydroxy-6-methoxy-7-O-?-L-rhamnopyranosyl-(1?2)-O-?-D-galactopyranoside (dG Bind score -98.7866kcal/mol) for EGFR in comparison to gefitinib (dG Bind score - 86.5585kcal/mol); (dG Bind score -87.3524kcal/mol) for Akt as compared to AZD 5363 (dG Bind score -76.5959); (dG Bind score -87.1051kcal/mol) for PI3K as compared to wortmannin (dG Bind score -79.0654kcal/mol) and for mTOR it has shown the (dG Bind score of -81.964kcal/mol) against sirolimus (dG Bind score -192.354kcal/mol) is reported to have fair pharmacokinetic profile along with attractive binding interactions with EGFR, PI3K, Akt and mTOR receptors.
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    Pharmacological and chemical potential of Cassia fistula L- a critical review
    (Elsevier GmbH, 2020-10-19T00:00:00) Sharma, Akanksha; Kumar, Amit; Jaitak, Vikas
    Cassia fistula L. (Fabaceae) is a plant species called �Aragvadha� which means �disease killer�. C. fistula consists of a large amount of medicinal properties. The plant has been used in Ayurvedic medicine since ancient periods, because it affects all three �Doshas� i.e. Vata, Pitah, and Kapha. In the last few years, the plant has been widely explored for its array of pharmacological uses which have also been experimentally proven. It contains many chemical components having important pharmacological properties. These constituents are reported to possess various biological activities such as antioxidant, antimicrobial, antidiabetic, antitumor and antimelasmic. This current article will be important to investigate Cassia fistula and explore it further for determination of new potential pharmacophores that could be responsible for its activities related to the central nervous system, heart, antitumor, antioxidant and inflammation. � 2020 Elsevier GmbH
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    Phytochemical Profiling and Pharmacological Evaluation of Leaf Extracts of Ruellia tuberosa L.: An In Vitro and In Silico Approach
    (John Wiley and Sons Inc, 2023-08-04T00:00:00) Sharma, Akanksha; Kumar, Adarsh; Singh, Ankit Kumar; Singh, Harshwardhan; Kumar, K. Jayaram; Kumar, Pradeep
    The present study was designed to appraise the photoprotective, antioxidant, and antibacterial bioactivities of Ruellia tuberosa leaves extracts (RtPE, RtChl, RtEA, RtAc, RtMe, and RtHMe). The results showed that, RtHMe extracts of R. tuberosa was rich in total phenolic content, i. e., 1.60 mgGAE/g dry extract, while highest total flavonoid content was found in RtAc extract, i. e., 0.40 mgQE/g. RtMe showed effective antioxidant activity (%RSA: 58.16) at the concentration of 120 ?L. RtMe, RtEA and RtHMe exhibited effective in vitro antibacterial activity against Gram-negative bacteria (E. coli). In silico docking studies revealed that paucifloside (?11.743 kcal/mol), indole-3-carboxaldehyde (?7.519 kcal/mol), nuomioside (?7.275 kcal/mol), isocassifolioside (?6.992 kcal/mol) showed best docking score against PDB ID 2EX8 [penicillin binding protein 4 (dacB) from Escherichia coli, complexed with penicillin-G], PDB ID 6CQA (E. coli dihydrofolate reductase protein complexed with inhibitor AMPQD), PDB ID 2Y2I [Penicillin-binding protein 1B in complex with an alkyl boronate (ZA3)] and PDB ID 2OLV (from S. aureus), respectively. Docked phytochemicals also showed good drug likeness properties. � 2023 Wiley-VHCA AG, Zurich, Switzerland.