In vitro antioxidant and cytotoxicity activities and in silico anticancer property of methanolic leaf extract of Leucas indica

Susmi, Tasmina Ferdous; Khan, Md Moshiur Rahman; Rahman, Atikur; Mahmud, Shafi; Saleh, Md. Abu; Reza, Abu; Rahi, Md. Sifat

doi:10.1016/j.imu.2022.100963

Cited by 7 publications

(3 citation statements)

References 51 publications

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“…Another compound, 9,12-Octadecadienoic acid, ethyl ester is a fatty acid ester with hepatoprotective, antimicrobial and anticoronary activities 86 . In general, it was observed that bioactive phytoconstituents identified by GCMS in medicinal plants have a wide range of biological activities 87 , 88 . Therefore, the natural components screened from ANH extract may have a significant role in the pharmacological and biological activities, additional research should be required to investigate them.…”

Section: Discussionmentioning

confidence: 99%

Phytochemical profiling and cytotoxic potential of Arnebia nobilis root extracts against hepatocellular carcinoma using in-vitro and in-silico approaches

Kiran

Altaf

Sarwar

et al. 2023

Sci Rep

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Hepatocellular carcinoma is the fifth most prevalent cancer worldwide. The emergence of drug resistance and other adverse effects in available anticancer options are challenging to explore natural sources. The current study was designed to decipher the Arnebia nobilis (A. nobilis) extracts for detecting phytochemicals, in-vitro evaluation of antioxidative and cytotoxic potentials, and in-silico prediction of potent anticancer compounds. The phytochemical analysis revealed the presence of flavonoids, phenols, tannins, alkaloids, quinones, and cardiac glycosides, in the ethanol (ANE) and n-hexane (ANH) extracts of A. nobilis. ANH extract exhibited a better antioxidant potential to scavenge DPPH, nitric oxide and superoxide anion radicals than ANE extract, which showed better potential only against H2O2 radicals. In 24 h treatment, ANH extract revealed higher cytotoxicity (IC50 value: 22.77 µg/mL) than ANH extract (IC50 value: 46.74 µg/mL) on cancer (HepG2) cells without intoxicating the normal (BHK) cells using MTT assay. A better apoptotic potential was observed in ANH extract (49.10%) compared to ANE extract (41.35%) on HepG2 cells using the annexin V/PI method. GCMS analysis of ANH extract identified 35 phytocompounds, from which only 14 bioactive compounds were selected for molecular docking based on druggability criteria and toxicity filters. Among the five top scorers, deoxyshikonin exhibited the best binding affinities of − 7.2, − 9.2, − 7.2 and − 9.2 kcal/mol against TNF-α, TGF-βR1, Bcl-2 and iNOS, respectively, followed by ethyl cholate and 2-Methyl-6-(4-methylphenyl)hept-2-en-4-one along with their desirable ADMET properties. The phytochemicals of ANH extract could be used as a promising drug candidate for liver cancer after further validations.

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Section: Discussionmentioning

confidence: 99%

Phytochemical profiling and cytotoxic potential of Arnebia nobilis root extracts against hepatocellular carcinoma using in-vitro and in-silico approaches

Kiran

Altaf

Sarwar

et al. 2023

Sci Rep

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“…The need for low cytotoxicity in normal cells is a key factor in choosing these molecules as possible chemotherapeutic agents. [18] Begoniaceae is a vast genus of flowering plants, considered one of the largest in the world, with about 1900 species. [19,20] The genus comprises herbaceous plants or climbing vines and is found in tropical and subtropical locations worldwide.…”

Section: Abstract a R T I C L E I N F Omentioning

confidence: 99%

Assessment of the Phytochemical Composition, Antioxidant Activity, and In-vitro Cytotoxic Effects of Begonia malabarica on Pancreatic Cancer Cell Line

Sakthivadivel,

Arumugam,

Murugan

et al. 2024

Int. J. Pharm. Sci. Drug Res.

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The study assesses the biological properties of methanolic extracts derived from the leaves, stems, and roots of Begonia malabarica, a native plant species in the mountainous area of southern India. The GC-MS was used to analyze the phytochemicals in the solvent from Begonia malabarica that had been extracted with methanol. The antioxidant activity was evaluated using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method and as reference solution is ascorbic acid. The cytotoxicity activity was determined using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) approach. The GC-MS analysis effectively revealed 35 distinctive phytomolecules. The primary constituents, namely tert-butylbenzene (23%), 2-methylnaphthalene (6.2%), ethyl ester of octadecanoic acid (0.9%), and (Z,Z)-9,12-octadecadienoic acid (0.9%), are noted. The results, the methanolic extracts from B. malabarica are antioxidants that have significant levels (P < 0.05) of DPPH radical scavenging activities at different doses. The detected radical scavenging activities exhibited a higher proportion in the stem of B. malabarica. The IC50 values for the methanolic extracts were found to be 0.77 mg/ml, 0.49 mg/ml, and 0.68 mg/ml, respectively. The MTT analysis demonstrated that the methanolic extracts exhibited a considerable increase in cytotoxic activity against the pancreatic cancer (PANC-1) cell line, resulting in a cell viability percentage of 69.63% at a concentration of 31.25µg/ml. These findings confirm the possible biological effects of B. malabarica and its prospective use in different pharmaceutical pursuits in the future.

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“…Protein-ligand interactions are visualized and analysed via BIOVIA Discovery studio visualizer. Visualization of the docked protein-ligand model provides 2D and 3D structures of the complex with interacting bonds, bond category, bonding distance, and so on [17]. 2D structures display the various interacting amino acid residues bonded by hydrogen and hydrophobic bonds between the ligand and target protein [18] whereas 3D structures help to understand the molecular arrangement and how protein and ligand are bonded to each other.…”

Section: Visualization Of Protein-ligand Complexmentioning

confidence: 99%

Interaction of Pteridophytic Bioactive Compounds With Fungal Dihydrofolate Reductase Enzyme as Inhibitor

SİNGH,

RAGHAV,

SİNGH

et al. 2023

Ankara Ecz. Fak. Derg.

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Objective: Fungal infections which are relatively common mainly invades the body of an immunosuppressed patients and people undergoing therapy. These pathogens act through different pathways like the Dihydrofolate reductase (DHFR) has a role in the folate synthetic pathway which is responsible for DNA synthesis. Since the early ages herbal remedies were used and have been tested for treating these fungal infections. Previous studies have revealed the use of bioactive molecules of pteridophytes to demonstrate antifungal activity. Material and Method: In the present study different pteridophytes were selected from available library which showed the presence of bioactive phytoconstituents. In-silico studies on DHFR target (PDB ID: 6DRS and PDB ID: 3QLW) was carried out using PyRx program (India) to determine the affinity of bioactive molecules against the fungal strain. Result and Discussion: Molecular docking was performed with 11 bioactive molecules showing activity against the selected target proteins. So, we can conclude that the selected bioactive molecules are active against fungal strain and can be further investigated for both in-vivo and in-vitro studies.

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In vitro antioxidant and cytotoxicity activities and in silico anticancer property of methanolic leaf extract of Leucas indica

Cited by 7 publications

References 51 publications

Phytochemical profiling and cytotoxic potential of Arnebia nobilis root extracts against hepatocellular carcinoma using in-vitro and in-silico approaches

Phytochemical profiling and cytotoxic potential of Arnebia nobilis root extracts against hepatocellular carcinoma using in-vitro and in-silico approaches

Assessment of the Phytochemical Composition, Antioxidant Activity, and In-vitro Cytotoxic Effects of Begonia malabarica on Pancreatic Cancer Cell Line

Interaction of Pteridophytic Bioactive Compounds With Fungal Dihydrofolate Reductase Enzyme as Inhibitor

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