02091nas a2200361 4500008004100000245012400041210006900165260001400234300001200248490000700260520107800267653001801345653001701363653002301380653002501403100001401428700002001442700001601462700001701478700001901495700001801514700001501532700001801547700001801565700001901583700001601602700001701618700001401635700001401649700001601663700001401679856003601693 2022 eng d00aUtilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method0 aUtilization of Secondary Metabolites in Algae Kappaphycus alvare cJune 2022 a536-5430 v143 a
Breast cancer is one of the worst diseases that affect female people. Long-term treatment with therapy or surgery has a detrimental impact on the patient. The algae Kappaphycus alvarezii has gotten a lot of interest as a breast cancer medication because it contains chemicals that are expected to be anti-cancer. The objectives of this paper were to see how secondary metabolites in algae interact with the Nuclear Factor- kappaB protein kinase in breast cancer. The ligands and proteins were obtained from the PubChem and PDB websites, respectively. Swiss ADME was then used to assess the Pharmacokinetics and Drug likeness Properties. The last stage involved using molecular docking with PyRx and molecular dynamics to identify the interaction and visualization between the ligand and the target protein. The findings of the test revealed that the maraniol chemical had a superior binding capacity with NF kB protein kinase because it has a chromone group that controls transport efficiently in preventing breast cancer proliferation.
10aBreast cancer10aK. alvarezii10aMolecular Docking.10aNF kB protein kinase1 aDibha, AF1 aWahyuningsih, S1 aAnsori, ANM1 aKharisma, VD1 aWidyananda, MH1 aParikesit, AA1 aSibero, MT1 aProbojati, RT1 aMurtadlo, AAA1 aTrinugroho, JP1 aSucipto, TH1 aTurista, DDR1 aRosadi, I1 aUllah, ME1 aJakhmola, V1 aZainul, R uhttps://phcogj.com/article/1800