Biology subjects

Mukerjee, N.

Publications and source records attributed to Mukerjee, N..

2 recordsLinked to original sources

bioRxiv2023

In-vivo Therapeutic Evaluation of the Wound Healing Potential of Ethanolic Extract of Trichilia heudelotii Leaves in Wistar Rats

BackgroundTrichilia heudelotii belongs to the Meliaceae family and is commonly used in indigenous African medicine to prevent and treat various microbial ailments. MethodsTrichilia heudelotiis ethanolic leaf extracts contains phytochemicals which was studied to demonstrate its wound-healing properties. Phytochemical screening of leaf extracts contains flavonoids, phenolics, tannins, terpenoids, saponins, and alkaloids, which play a vital part in the healing process. Overall, quantitative, and qualitative screening were performed to evaluate the therapeutic efficacy of Trichilia heudelotiis phytochemicals for wound treatment. ResultsThe wound-healing potency was evaluated using different concentrations of formulated oil extracts (0.5, 1.0, and 2.0g/10g) on fresh wounds inflicted on Wistar rats using the excision model. Healing capacity was assessed based on rate of wound contracting ability, time of wound closure, and epithelisation period. The results shows that leaf extract oils exhibited significant wound healing capacity (p<0.05) compared with controls. On the 18th day in the infected group using 2.0/10g extract formulated ointment, 100% wound closure was observed. On day 21, using 0.5/10g and 1.0/ 10g, extract formulated ointment compared with controls which exhibited 79% and 89%, respectively. In addition, histopathological characteristics show increased and well-organized new bands of collagen and fibroblasts in the extract formulated treatment than in the controls, which supports the wounding healing potential of the plant. This is the first report providing therapeutic evidence for the wound healing activity of ethanolic leaf extract on Wistar rats. ConclusionThis indicate the evidence that establish the traditional use of Trichilia heudelotii extract for treating skin infections and wounds. The results also raise the possibility of developing a commercialized medicinal product-based venture based on this extract. Graphical Abstract O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=176 SRC="FIGDIR/small/571768v2_ufig1.gif" ALT="Figure 1"> View larger version (34K): org.highwire.dtl.DTLVardef@18dbe8corg.highwire.dtl.DTLVardef@d8eb90org.highwire.dtl.DTLVardef@15152f7org.highwire.dtl.DTLVardef@1de83e_HPS_FORMAT_FIGEXP M_FIG C_FIG

biochemistry↗

bioRxiv2023

Computational investigation of Scutellarein derivatives as an inhibitor against triple-negative breast cancer by Quantum calculation, and drug-designed approaches

Triple-negative breast cancer accounts for 10-15% of all breast tumors (TNBC). Triple-negative breast cancer lacks either estrogen or progesterone receptors (ER or PR), producing either too little or too much HER2. (All three tests result in "negative" results for the cells.) These cancers are more common in women under 40 who are Black or have the BRCA1 mutation. TNBC differs from other types of invasive breast cancer in that it has fewer treatment options, a worse prognosis, and grows and spreads more quickly (outcome). So, first of all, the protein of triple-negative breast cancer was collected from the PDB database having the most stable configuration, and a natural bioactive molecule, Scutellarein, was selected. Scutellarein is well-known to possess anti-cancer properties, so its derivatives were chosen to design anticancer drugs through computational tools. In this case, the functional group has applied and modified structural activity relationship methods. Then, the pass prediction score was taken, which indicates the probability of active (Pa) and the probability of inactive (Pi). After that, other in-silco approaches, such as the ADMET parameter, and quantum calculation by Density Functional Theory (DFT), have been conducted. Finally, molecular docking and dynamics have been evaluated against TNBC to determine the binding affinity and stability. Scutellarein derivatives (DM03 at -10.7 kcal/mol, DM04 at -11.0 kcal/mol) have been reported to have a maximum tendency for binding against TNBC. Besides, the molecular dynamic simulation was performed at 100ns and described by root-mean-square deviation (RMSD) and root-mean-square fluctuation (RMSF), which are much more stable compounds. The pharmacokinetics specifications for a suitable therapeutic candidate were satisfied by these molecules, like as non-carcinogenic, minimal to aquatic and non-aquatic toxicity. Almost all the molecules are highly soluble in the aqueous system. These all-computational data suggested that they might be suitable as a medication for the inhibition of TNBC, and further experimental studies should be carried out.

bioinformatics↗