Journal ArticleDOI
In silico potential of nutraceutical plant of Pithecellobium dulce against GRP78 target protein for breast cancer
Selvakumar Murugesan,Palanikumar Palanichamy,Velusamy Arumugam,Manigandan Venkatesan,Surya Aathmanathan,Hemanandini Krishnamoorthy,Arivalagan Pugazhendhi +6 more
TLDR
A preliminary phytochemical screening of the EtOH extract of the Pithecellobium dulce fruit peel showed the presence of alkaloids, glycosides, flavonoids, steroids, tannins, saponin and polyphenols.Abstract:
A preliminary phytochemical screening of the EtOH extract of the Pithecellobium dulce fruit peel showed the presence of alkaloids, glycosides, flavonoids, steroids, tannins, saponin and polyphenols. Notable amounts of phenolics and flavonoids were observed in the fruit peel extract. P. dulce fruit feel extract could potentially prevent the ROS damage and oxidative stress. The crude extract displayed higher DPPH (92.44%) and ABTS (94.51%) radical-scavenging activities. The GC–MS analysis of fruit peel extract revealed the presence of 36 bioactive compounds with pinitol, L-Rhamnose and 1, 5-anhydro-6-deoxyhexo-2, 3-diulose being the dominant compound and these might be responsible for the maximum radical-scavenging activities. Among these bioactive compounds, Pinitol was explored with the best drug-likeness properties with suitable pharmacokinetic properties. Docking and dynamics studies of GRP78-pinitol complex showed the minimized binding affinity (−6.8 kcal/mol) and exhibited the stable binding mode. The present results showed that the three lead compounds of P. dulce may act as noble inhibitors for GRP78 and the compounds can be re-designed and synthesized for potential anticancer activity.read more
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LC-QTOF-MS Characterization, Antioxidant Activity, and In Vitro Toxicity of Medicinal Plants from the Tri-Than-Thip Remedy
TL;DR: In this article , the authors evaluated the antioxidant capacities of Tri-Than-Thip (Tri-TT) and its herbal constituents, Cassia fistula, Pithecellobium dulce, and Ficus benjamina.
Journal ArticleDOI
Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants - Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) - A molecular docking and simulation study.
Selvakumar Murugesan,Sanjay Kottekad,Inchara Crasta,Sivakumar Sreevathsan,Dandamudi Usharani,Madan Kumar Perumal,Sandeep N. Mudliar,Sandeep N. Mudliar +7 more
TL;DR: In this paper, the authors examined the potential of Emblica officinalis (amla), Phyllanthus niruri Linn. (bhumi amla) and Tinospora cordifolia (giloy) bioactive compounds to inhibit the enzymatic activity of COVID-19 Mpro.
Journal ArticleDOI
Screening and Druggability Analysis of Marine Active Metabolites against SARS-CoV-2: An Integrative Computational Approach
TL;DR: In this article , a computational approach was used to identify potential marine-derived inhibitors against the target proteins of COVID-19 using a computational-based approach and 16 marine clinical-level compounds were selected for computational screening against the 4 SARS-CoV-2 main proteases.
Journal ArticleDOI
Exploring different computational approaches for effective diagnosis of breast cancer.
Anuradha,Navneeta Bharadvaja +1 more
TL;DR: In this paper , the authors provided a brief summary involving traditional diagnostic procedures from the past and today, and also modern computational tools that have greatly aided in the identification of breast cancer.
Posted ContentDOI
Microwave assisted extraction of polyphenols from Pithecellobium dulce benth fruit peels and evaluation of its anticancer and antioxidant activity
TL;DR: In this paper , a microwave-assisted aqueous extraction of polyphenols from the Pithecellobium dulce fruit peels was investigated, and the results indicated that the polyphenolics rich, biologically potent Pithe Cellobium Dulce (PCD) fruit peel extracts can be a good therapeutic and nutraceutical supplement to treat cancer and related complications.
References
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