https://dspace.sduaher.ac.in/jspui/handle/123456789/7256 2026-02-09T01:47:57Z https://dspace.sduaher.ac.in/jspui/handle/123456789/9612 Title: Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target Authors: Satish, Anandan.; Shivakumara., C S; Anjana, Thampy.; Mohammad, Y Alfaifi.; Flores-holguín., Norma; Mahadevamurthy, Murali Abstract: Cladosporium spp. have been reported for their great diversity of secondary metabolites which represent as a prominent base material for verifying the biological activities. Several bioactive compounds which have antimicrobial, cytotoxic, quorum sensing inhibitory and phytotoxic activities have been isolated from Cladosporium species. Most of them are still needed to be explored for their anticancer properties. Therefore, the present study is focused on screening and identifying the bioactive compounds of Cladosporium spp. for their anticancer activity via the integrated approaches of Molecular Docking (MD), Molecular Dynamics Simulation (MDS) and Density Functional Theory (DFT) studies. A total of 123 bioactive compounds of Cladosporium spp. were explored for their binding affinity with the selected breast cancer drug target receptor such as estrogen receptor alpha (PDB:6CBZ). The Molecular Docking studies revealed that amongst the bioactive compounds screened, Altertoxin X and Cladosporol H showed a good binding affinity of − 10.5 kcal/mol and − 10.3 kcal/mol, respectively, with the estrogen receptor alpha when compared to the reference compound (17β‑Estradiol: − 10.2 kcal/mol). The MDS study indicated the stable binding patterns and conformation of the estrogen receptor alpha‑Altertoxin X complex in a stimulating environment. In addition, in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) study suggested that Altertoxin X has a good oral bioavailability with a high LD50 value of 2.375 mol/kg and did not cause any hepatotoxicity and skin sensitization. In summary, the integrated approaches revealed that Altertoxin X possesses a promising anticancer activity and could serve as a new therapeutic drug for breast cancer treatment. 2023-01-01T00:00:00Z https://dspace.sduaher.ac.in/jspui/handle/123456789/9154 Title: Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as apotential drug targeting breast cancer: Investigations through computational, molecular docking andconceptual DFT studies Authors: Gowtham, H.G.; Murali, M.; Singh, S.B.; Shivamallu, C.; Pradeep, S.; Shivakumar, C.S.; Anandan, S.; Thampy, A.; Achar, R.R.; Silina, E.; Stupin, V.; Ortega-Castro, J.; Frau, J.; Flores-Holguín, N.; Amruthesh, K.N.; Kollur, S.P.; Glossman-Mitnik, D. Abstract: Breast cancer is the second most common malignancy infemales worldwide and poses a great challenge that necessitates the identification of novel therapeutic agents from several sources. This research aimed to study the molecular docking and molecular dynamics simu lations of four proteins (such as PDB: 6CBZ, 1FDW, 5GWKand 2WTT)with theselected phytochemicals from Withania somnifera to identify the potential inhibitors for breast cancer. Themolecular docking result showed that among 44 compounds, two of them, Ashwagand hanolide and Withanolide sulfoxide have the potential to inhibit estrogen receptor alpha (ERα), 17-beta-hydroxysteroid-dehydrogenase type 1 (17β-HSD1), topoisomerase II alpha (TOP2A) andp73tetramerization domain that are expressed during breast cancer. The molecular dynamics (MD) simulations results suggested that Ashwagandhanolide remained inside the binding cavity of four targeted proteins and contributed favorably towards forming a stable protein-ligand complex throughout the simulation. Absorption, Distribution 2022-10-01T00:00:00Z https://dspace.sduaher.ac.in/jspui/handle/123456789/9145 Title: Facile synthesis of ZnO-NPs from yellow creeping daisy (Sphagneticola trilobata L.) attenuates cell proliferation by inducing cellular level apoptosis against colon cancer Authors: Muralia, Mahadevamurthy; Manjulab, S.; Shilpac, N.; Ravishankard, D.K.; Shivakumarae, C.S.; Thampye, Anjana; Abbas Ayeshamariamf; Pandeyg, Sadanand; Anandane, Satish; Amruthesh, Kestur Nagaraj Abstract: Cancer is considered as one of the relatively high mortality diseases to humankind and the search for newer strategies to combat the disease is a never-ending process. In view of the same the present study was designed to biosynthesize zinc oxide nanoparticles (ZnO-NPs) from the aqueous leaf extract (ALE) of medicinally important plant Sphagneticola trilobata L. for the first time and to evaluate its efficacy in inducing cancer against HT-29 cells apart from identifying their biocompatible potential. The as prepared StZnO-NPs were characterized by different techniques that signified the properties of the nanoparticles, which included an absorption peak at 298 nm, bandgap energy of 3.43 eV with a size of 29.83 nm. The scanning electron microscopic images confirmed the particles were agglomerated and the energy dispersive spectroscopic analysis confirmed the particles were of 98.23% purity. The Fourier transform infrared spectroscopy revealed that the metabolites of the ALE act as reducing/ stabi lizing agents during the synthesis process which was confirmed by the presence of absorbance peak between 400cm1to600cm1.TheStZnO-NPsalsoofferedpotential antioxidant and genotoxic potential with an IC50 value of 0.7 mg mL 1. In addition, the cytotoxic ability of the StZnO-NPs against the HT-29 colon cancer cells and human erythrocytes revealed that the particles were cytotoxic towards HT-29 cells, while insignificant effect against the human erythrocytes. Further, a detailed investigation on the interaction with cells and their inherent toxicity may be enhanced through in vivo methods before their therapeutic usage as the StZnO-NPs evaluated during the study offered antioxidant, genotoxic and cyto toxic properties is biocompatible. 2022-05-01T00:00:00Z https://dspace.sduaher.ac.in/jspui/handle/123456789/8508 Title: Hypoglycemic Effects of Apigenin from Morus Indica in Streptozotocin Induced Diabetic Rats Authors: Satish Anandan, Asna UrooJ. Abstract: Introduction: Morus Indica L occupies an important position in the holistic system of Indian medicine ‘Ayurveda’ which has its roots in antiquity and has been followed for centuries. Objective: Methods: The hypoglycemic potential of apigenin isolated from MI leaves in streptozotocin (STZ) induced diabetic rats was studied. The rats were divided into four groups (n=6 animals in each group) viz. Group I- Normal healthy control rats (NC); Group II- STZ-induced diabetic control (DC) rats without treatment; Group III- STZ-induced diabetic rats treated with Aminoguanidine (AG) (30 mg kg-1 body weight by intraperitoneal); Group IV- STZ-induced diabetic rats treated with Apigenin (API) (50 mg kg-1 body weight was given by orally). The protective effect of API was evaluated by determining the biochemical parameters (lipid profile, liver, and kidney) and by studying the histopathological alterations in liver and kidney. Results: Diabetic control group had altered biochemical values (lipid profile, liver and kidney) when compared with the NC group. However, treatment with API showed significant improvement in the biochemical parameters and values are comparable to the NC group. Histopathological data revealed destruction of the kidney and liver architecture in DC, which was reverted in the group treated with API. Conclusions: The present findings suggest that API might be useful in the management of diabetes mellitus. 2021-01-01T00:00:00Z