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Plant-derived antioxidants are a large group of natural products with the capacity to reduce radical-scavenging. Due to their potent therapeutic and preventive actions, these compounds receive a lot of attention from scientists, particularly pharmacologists. The pharmacological activities of the Azima tetracantha Lam. (AT) plant, belonging to the Salvadoraceae family, reported here justifies its traditional use in treating several diseases or disorders. This study aims to look at the propensity of certain plant compounds found in natural AT plant extracts that might play a critical role as a secondary metabolite in cervical cancer treatment. There is a shortage of information on the plant’s phytochemical and biological characteristics. Methanol (MeOH) solvent extracts of the dried AT plant were screened phytochemically. Its aqueous extract was tested for antioxidant, antiseptic, anti-inflammatory, and anticancerous properties. Absorption Distribution Metabolism and Excretion (ADME/T), Docking, and HPLC were also performed. In clinical treatment, the plant shown no adverse effects. The antioxidant activity was evaluated and showed the highest concentration at 150 µg/mL (63.50%). MeOH leaf extract of AT exhibited the highest and best inhibitory activity against Staphylococcus aureus (15.3 mm/1000) and displayed a high antiseptic potential. At a 200 µg/mL concentration, MeOH leaves-extract inhibited red blood cells (RBC) hemolysis by 66.56 ± 0.40, compared with 62.33 ± 0.40 from the standard. Albumin’s ability to suppress protein denaturation ranged from 16.75 ± 0.65 to 62.35 ± 0.20 inhibitions in this test, providing even more support for its favorable anti-inflammatory properties. The ADME/T studies were considered for a potential cancer drug molecule, and one of our compounds from MeOH extract fills the ADME and toxicity parameters. The forms of compound 4 showed a strong hydrogen-bonding interaction with the vital amino acids (ASN923, THR410, LEU840TRY927, PHE921, and GLY922). A total of 90% of cell inhibition was observed when HeLa cell lines were treated with 300 µg/mL of compound 4 (7-acetyl-3a1-methyl- 4,14-dioxo-1,2,3a,3a1,4,5,5a,6,8a,9b,10,11,11a-tetradecahydro-2,5a epoxy5,6a (methanooxymethano)phenaleno[1′,9′:5,6,7]indeno[1,7a-b]oxiren-2-yl acetate). The polyphenol compounds demonstrated significant advances in anticancer drug properties, and it could lead to activation of cancer cell apoptosis.
Palanisamy Prakash; Nisha Kumari; Ekambaram Gayathiri; Kuppusamy Selvam; Manikavali Gurunadhan Ragunathan; Murugesan Chandrasekaran; Munirah Abdullah Al-Dosary; Ashraf Atef Hatamleh; Ashok Kumar Nadda; Manu Kumar. In Vitro and In Silico Toxicological Properties of Natural Antioxidant Therapeutic Agent Azimatetracantha. LAM. Antioxidants 2021, 10, 1307 .
AMA StylePalanisamy Prakash, Nisha Kumari, Ekambaram Gayathiri, Kuppusamy Selvam, Manikavali Gurunadhan Ragunathan, Murugesan Chandrasekaran, Munirah Abdullah Al-Dosary, Ashraf Atef Hatamleh, Ashok Kumar Nadda, Manu Kumar. In Vitro and In Silico Toxicological Properties of Natural Antioxidant Therapeutic Agent Azimatetracantha. LAM. Antioxidants. 2021; 10 (8):1307.
Chicago/Turabian StylePalanisamy Prakash; Nisha Kumari; Ekambaram Gayathiri; Kuppusamy Selvam; Manikavali Gurunadhan Ragunathan; Murugesan Chandrasekaran; Munirah Abdullah Al-Dosary; Ashraf Atef Hatamleh; Ashok Kumar Nadda; Manu Kumar. 2021. "In Vitro and In Silico Toxicological Properties of Natural Antioxidant Therapeutic Agent Azimatetracantha. LAM." Antioxidants 10, no. 8: 1307.
We studied the pharmacological potential effects of viral components, performed target prediction and network analysis, and investigated interactive pathways utilizing a pharmacology approach to molecular docking and dynamics and network pharmacology. The radical scavenging activity was undertaken to evaluate the effect of substituent on the antioxidant activities of the all-synthesized compounds and shows promising activity. A benefit of utilizing phytochemicals contain arrangements becomes the excellent patient safety with little negative effects. The compounds (Trans-13-Octadecenoic-acid −188.24 kal/mol (ARG 431, GLN 470, ARG 431, SER 433, TYR 458 and ARG 431). PASS prediction screening results for bioactive compounds of trust standard for human intestinal absorption and penetration of the blood-brain barrier. Likewise, another predicate also has a 0.816% level of confidence toward intestinal absorption 95% level of confidence for BBB penetration using viral trials of 5-Hydroxymethyl furfural is a feasible key to the design of antiviral therapies for viral protease inhibition. In designing novel antiviral medicines, the recognized pharmacophore structures of bioactive compounds may be valuable. A benefit of utilizing phytochemicals containing preparations becomes the excellent patient safety with little negative effects. In designing novel antiviral medicines, the recognized pharmacophore structures of bioactive compounds may be useful.
Selvaraj Nirmalraj; Ekambaram Gayathiri; Malathi Sivamurugan; Rengarajan Manivasagaperumal; JayaPrakash Jayanthi; Palanisamy Prakash; Kuppusamy Selvam. Molecular docking based screening dynamics for plant based identified potential compounds of PDE12 inhibitors. Current Research in Green and Sustainable Chemistry 2021, 4, 100122 .
AMA StyleSelvaraj Nirmalraj, Ekambaram Gayathiri, Malathi Sivamurugan, Rengarajan Manivasagaperumal, JayaPrakash Jayanthi, Palanisamy Prakash, Kuppusamy Selvam. Molecular docking based screening dynamics for plant based identified potential compounds of PDE12 inhibitors. Current Research in Green and Sustainable Chemistry. 2021; 4 ():100122.
Chicago/Turabian StyleSelvaraj Nirmalraj; Ekambaram Gayathiri; Malathi Sivamurugan; Rengarajan Manivasagaperumal; JayaPrakash Jayanthi; Palanisamy Prakash; Kuppusamy Selvam. 2021. "Molecular docking based screening dynamics for plant based identified potential compounds of PDE12 inhibitors." Current Research in Green and Sustainable Chemistry 4, no. : 100122.
Bioactive molecules of plant origin play a significant role as defensive agents in different insect species. Chemical compounds in medicinal plants have been an exciting alternative to standard methods of controlling mosquito larvae. The present study evaluates the different solvent extracts of D. hamiltonii for toxicity against three different mosquito larvae. Bioassay revealed that the effect of the methanol extracts increased the larval mortality with increasing concentration. The highest larval mortality was observed in Culex quinquefasciatus with 98.33%, followed by 95 and 90% mortality in Aedes aegypti and Anopheles stephensi, at 24 h exposure. GC-MS analysis of methanol extract of D. hamiltonii showed six major peak compounds. They are benzaldehyde, 2-hydroxy-4-methoxy-(10.35%), dodecanoic acid (11.02%), n-hexadecanoic acid (21.05%), linoleic acid methyl ester (14.20%), oleic acid (21.04%), octadecanoic acid (22.21%). The level of α and β Carboxylesterases gets significantly decreased post-treatment with the methanol extract of D. hamiltonii in a dose-dependent manner.In contrast, glutathione S-transferase (GST) and cytochrome-P450 (CYP450) levels get up-lifted steadily when the dosage gets increased. The ratio of GST level has drastically proclaimed to in Ae. aegypti 0.702 mg/m Lin parallel to Cx. quiquefasciatus (0.656 mg/mL) and An. stephensi (0.812 mg/mL). Cytochrome P450 (CYP450) activity was observed to increase significantly post-treatment with the sub-lethal dosage of methanol extract of D. hamiltonii. Correspondingly, the non-target screening against the aquatic predators reveals that the crude root extracts and their derivatives are ecologically safe and less toxic. Overall, the present research highlights the chemical characterization of crude methanol extracts of D. hamiltonii, their insecticidal activity against the medically challenging pests, and their non-target activity delivers an ecologically safe, and target specific bio-active agents and suitable substitute for chemical pesticides.
Palanisamy Prakash; Ekambaram Gayathiri; Rengarajan Manivasagaperumal; Patcharin Krutmuang. Biological Activity of Root Extract Decalepis hamiltonii (Wight & Arn) against Three Mosquito Vectors and Their Non-Toxicity against the Mosquito Predators. Agronomy 2021, 11, 1267 .
AMA StylePalanisamy Prakash, Ekambaram Gayathiri, Rengarajan Manivasagaperumal, Patcharin Krutmuang. Biological Activity of Root Extract Decalepis hamiltonii (Wight & Arn) against Three Mosquito Vectors and Their Non-Toxicity against the Mosquito Predators. Agronomy. 2021; 11 (7):1267.
Chicago/Turabian StylePalanisamy Prakash; Ekambaram Gayathiri; Rengarajan Manivasagaperumal; Patcharin Krutmuang. 2021. "Biological Activity of Root Extract Decalepis hamiltonii (Wight & Arn) against Three Mosquito Vectors and Their Non-Toxicity against the Mosquito Predators." Agronomy 11, no. 7: 1267.
Knoxia sumatrensis leaf extracts in methanol were analyzed for the phytochemical compositions, antioxidant properties (DPPH, ABTS, and hydroxyl radical assay), anti-proliferative activity (lung cancer A549 and breast cancer MCF-7 cell lines), and mosquito larvicidal properties. The GC-MS analysis showed the presence of eight bioactive compounds of which the hexadecanoic Acid, 2-Propyl-, methyl Ester, and 2,3-anhydro-D-Mannosan were the two major compounds present. The bioactive compounds present included phenolics and flavonoids (55.0 ± 1.3 mg GAE g−1 d.w. and 42.5 ± 0.5 mg RE g−1 d.w.). FT-IR analysis detected the presence of aldehydes and anhydrites functional groups. Antioxidant properties were positively associated with the secondary metabolites. The anti-proliferative activity of methanolic leaf extracts showed the IC50 values 135.82 and 181.73 μg mL−1 for A549 and MCF-7, respectively. The methanolic extract also showed larvicidal activity on three mosquito species with highest toxicity on Culex quinquefasciatus larvae with LC50 4.84 mg mL−1 and LC90 19.33 mg mL−1.
Settu Loganathan; Kuppusamy Selvam; Vairakkannu Sivasakthi; Palanisamy Prakash; Myilswamy Yamuna; Kandhasamy Lalitha; Muthugounder Subaramanian Shivakumar; Sengottayan Senthil Nathan. Phytochemical and Pharmacological Evaluation of Methanolic Extract of Knoxia sumatrensis Leaves. Journal of Herbs, Spices & Medicinal Plants 2021, 27, 200 -217.
AMA StyleSettu Loganathan, Kuppusamy Selvam, Vairakkannu Sivasakthi, Palanisamy Prakash, Myilswamy Yamuna, Kandhasamy Lalitha, Muthugounder Subaramanian Shivakumar, Sengottayan Senthil Nathan. Phytochemical and Pharmacological Evaluation of Methanolic Extract of Knoxia sumatrensis Leaves. Journal of Herbs, Spices & Medicinal Plants. 2021; 27 (2):200-217.
Chicago/Turabian StyleSettu Loganathan; Kuppusamy Selvam; Vairakkannu Sivasakthi; Palanisamy Prakash; Myilswamy Yamuna; Kandhasamy Lalitha; Muthugounder Subaramanian Shivakumar; Sengottayan Senthil Nathan. 2021. "Phytochemical and Pharmacological Evaluation of Methanolic Extract of Knoxia sumatrensis Leaves." Journal of Herbs, Spices & Medicinal Plants 27, no. 2: 200-217.
Plants produced natural generating products play a significant role in drug discovery of new bioactive compounds and these are used for advancement of innovative curative drugs for specific target health diseases. In this study Docking and ADME/T virtual screening method are apply for in drug discovery and can be divided into ligand- and target structure-based. The aim of this study was to analyze the Decalepis hamiltonii isolated compounds by using the evaluation of molecular docking and virtual screening of anticancer drugs. MOE docking ADME/Toxicity and virtual screening approaches. A docking energy −12.97 kcal/mol; −9.93- kcal/mol on cancer responsible protein was targeted. Further, the compounds were filtered through the rule of five, ADME/Toxicity risk and synthetic accessibility. The active compound were then docked to recognize the possible target binding pocket to obtain a set of a ligand poses and to prioritize the predicted active compounds. The scrutinize compounds, as well as their metabolites were evaluated for different pharmacokinetics parameter such as ADME/Toxicity. Therefore, the result shows that a large number of compounds were found to be ADME/toxicity positive to be a positive drug molecule against cancer, selected compounds under study satisfies parameters for ADME and Toxicity properties. The present study demonstrate to identifying the novel structures which are having similar structural feature with like activity with respect to the compounds 3,5-Dimethyl-1,3,4-Hexanetriol and Dodecanoic acid that are shown best binding energy with the receptors 4igk and 4b3z respectively. This study may provide significant clues for discovery novel drug inhibitors for cancer properties.
Palanisamy Prakash; Durairaj Vijayasarathi; Kuppusamy Selvam; Sengodan Karthi; Rengarajan Manivasagaperumal. Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors. Journal of Biomolecular Structure and Dynamics 2020, 39, 4490 -4500.
AMA StylePalanisamy Prakash, Durairaj Vijayasarathi, Kuppusamy Selvam, Sengodan Karthi, Rengarajan Manivasagaperumal. Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors. Journal of Biomolecular Structure and Dynamics. 2020; 39 (12):4490-4500.
Chicago/Turabian StylePalanisamy Prakash; Durairaj Vijayasarathi; Kuppusamy Selvam; Sengodan Karthi; Rengarajan Manivasagaperumal. 2020. "Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors." Journal of Biomolecular Structure and Dynamics 39, no. 12: 4490-4500.