Nghiên cứu ức chế aromatase bằng các hợp chất hóa học từ Juniperus procera: nghiên cứu docking phân tử

El-Said H, Ashgar SS, Bader A, AlQathama A, Halwani M, Ascrizzi R, Flamini G (2021) Essential oil analysis and antimicrobial evaluation of three aromatic plant species growing in Saudi Arabia. Molecules 26(4):959 Abdelghany TM, Hassan MM, El-Naggar MA, Abd El-Mongy M (2020) GC/MS analysis of Juniperus procera extract and its activity with silver nanoparticles against Aspergillus flavus growth and aflatoxins production. Biotechnol Reports 27:e00496 Alkhedaide AQ (2018) Preventive effect of Juniperus procera extract on liver injury induced by lithocholic acid. Cell Mol Biol (Noisy-le-grand) 64(13):63–68 Muhammad I, Mossa JS, Al-Yahya MA, Ramadan AF, El-Feraly FS (1995) Further antibacterial diterpenes from the bark and leaves of Juniperus procera Hochst. ex Endl. Phytother Res 9(8):584–588 Mossa JS, El-Feraly FS, Muhammad I (2004) Antimycobacterial constituents from Juniperus procera, Ferula communis and Plumbago zeylanica and their in vitro synergistic activity with isonicotinic acid hydrazide. Phytother Res 18(11):934–937 Nduati TW, Wagara IN, Walyambillah W, Were B and Matasyoh JC (2023) Bioactive compounds from Juniperus procera (Cupressaceae) with activity against common bean bacterial pathogens Alhayyani S, Akhdhar A, Asseri AH, Mohammed AM, Hussien MA, Roselin LS et al (2023) Potential anticancer activity of Juniperus procera and molecular docking models of active proteins in cancer cells. Molecules 28(5):2041 Das AP, Agarwal SM (2023) Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches. Mol Divers. https://doi.org/10.1007/s11030-022-10590-7 Pichersky E, Raguso RA (2018) Why do plants produce so many terpenoid compounds? New Phytol 220(3):692–702 Gershenzon J, Dudareva N (2007) The function of terpene natural products in the natural world. Nat Chem Biol 3(7):408–414 Wink M (2015) Modes of action of herbal medicines and plant secondary metabolites. Medicines 2(3):251–286 Sharifi-Rad J, Sureda A, Tenore GC, Daglia M, Sharifi-Rad M, Valussi M et al (2017) Biological activities of essential oils: from plant chemoecology to traditional healing systems. Molecules 22(1):70 Fitzmaurice C, Abate D, Abbasi N, Abbastabar H, Abd-Allah F, Abdel-Rahman O et al (2019) Global Burden of Disease Cancer Collaboration. Global, regional, and national cancer incidence, mortality, years of life lost, years lived with disability, and disability-adjusted life-years for 29 cancer groups, 1990 to 2017: a systematic analysis for the global burden of disease study. JAMA Oncol 5(12):1749–1768 Zaorsky NG, Churilla TM, Egleston BL, Fisher SG, Ridge JA, Horwitz EM, Meyer JE (2017) Causes of death among cancer patients. Ann Oncol 28(2):400–407. https://doi.org/10.1093/annonc/mdw604 Sung H, Ferlay J, Siegel RL, Laversanne M, Soerjomataram I, Jemal A, Bray F (2021) Global cancer statistics 2020: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries. Cancer J Clin 71(3):209–249. https://doi.org/10.3322/caac.21660 Abu-Helalah M, Mustafa H, Alshraideh H, Alsuhail AI, Almousily OA, Al-Abdallah R et al (2022) Quality of life and psychological wellbeing of breast cancer survivors in the kingdom of Saudi Arabia. Asian Pacific J Cancer Prevent 23(7):2291 Abdelbasset WK, Ibrahim AA, Alsubaie SF, Alrawaili SM, Althomali OW, Hussein HM (2023) Awareness and knowledge of breast cancer rehabilitation among Saudi Arabia physical therapists. Eur Rev Med Pharmacol Sci 27(12):5370–5377 Zughaibi TA, Mirza AA, Suhail M, Jabir NR, Zaidi SK, Wasi S & Tabrez S (2022) Evaluation of anticancer potential of biogenic copper oxide nanoparticles (CuO NPs) against breast cancer. J Nanomater 2022:5326355. https://doi.org/10.1155/2022/5326355 Shoaib TH, Ibraheem W, Abdelrahman M, Osman W, Sherif AE, Ashour A et al (2023) Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: insights from computational studies. PLoS ONE 18(8):e0289887 Sufyan M, Shokat Z, Ashfaq UA (2023) Artificial intelligence in cancer diagnosis and therapy: current status and future perspective. Comput Biol Med 165:107356 Alhadrami HA, Sayed AM, Melebari SA, Khogeer AA, Abdulaal WH, Al-Fageeh MB et al (2021) Targeting allosteric sites of human aromatase: a comprehensive in-silico and in-vitro workflow to find potential plant-based anti-breast cancer therapeutics. J Enzyme Inhibit Med Chem 36(1):1334–1345 El-Kersh DM, Ezzat SM, Salama MM, Mahrous EA, Attia YM, Ahmed MS, Elmazar MM (2021) Anti-estrogenic and anti-aromatase activities of citrus peels major compounds in breast cancer. Sci Rep 11(1):1–14 Maslikah SI, Lestari SR, Amin M & Amalia A (2021) Anticancer activity of phenolic leaves of Bidara (Ziziphus mauritiana) against breast cancer by in silico. In AIP Conference Proceedings (Vol. 2353, No. 1, p. 030042). AIP Publishing LLC Smith IE, Dowsett M (2003) Aromatase inhibitors in breast cancer. N Engl J Med 348(24):2431–2442 Grizzi G, Ghidini M, Botticelli A, Tomasello G, Ghidini A, Grossi F et al (2020) Strategies for increasing the effectiveness of aromatase inhibitors in locally advanced breast cancer: an evidence-based review on current options. Cancer Manage Res 12:675–686 Sood A, Lang DK, Kaur R, Saini B, Arora S (2021) Relevance of aromatase inhibitors in breast cancer treatment. Curr Top Med Chem 21(15):1319–1336 Dawood HM, Shawky E, Hammoda HM, Metwally AM & Ibrahim RS (2021) Development of a validated HPTLC‐bioautographic method for evaluation of aromatase inhibitory activity of plant extracts and their constituents. Phytochem Anal Dawood HM, Ibrahim RS, Shawky E, Hammoda HM, Metwally AM (2018) Integrated in silico-in vitro strategy for screening of some traditional Egyptian plants for human aromatase inhibitors. J Ethnopharmacol 224:359–372 Dawood HM, Shawky E, Hammoda HM, Metwally AM, Ibrahim RS (2020) Chemical constituents from artemisia annua and vitex agnus-castus as new aromatase inhibitors: in-vitro and in-silico studies. J Mex Chem Soc 64(4):316–326 Pouget C, Fagnere C, Basly JP, Besson AE, Champavier Y, Habrioux G, Chulia AJ (2002) Synthesis and aromatase inhibitory activity of flavanones. Pharm Res 19:286–291 Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF Chimera—a visualization system for exploratory research and analysis. J Comput Chem 25(13):1605–1612 Sadowski J, Gasteiger J, Klebe G (1994) Comparison of automatic three-dimensional model builders using 639 X-ray structures. J Chem Inf Comput Sci 34(4):1000–1008 Salentin S, Schreiber S, Haupt VJ, Adasme MF, Schroeder M (2015) PLIP: fully automated protein–ligand interaction profiler. Nucleic Acids Res 43(W1):W443–W447 Hsu KC, Chen YF, Lin SR, Yang JM (2011) iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis. BMC Bioinform 12:1–11 Adasme MF, Linnemann KL, Bolz SN, Kaiser F, Salentin S, Haupt VJ, Schroeder M (2021) PLIP 2021: expanding the scope of the protein–ligand interaction profiler to DNA and RNA. Nucleic Acids Res 49(W1):W530–W534 Krüger DM, Ahmed A, Gohlke H (2012) NMSim web server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins. Nucleic Acids Res 40(W1):W310–W316 Banerjee P, Eckert AO, Schrey AK, Preissner R (2018) ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res 46(W1):W257–W263 Pyne S, Gayathri P (2005) Geometric methods in molecular docking. Bioinform India J 3:11–12 Singgih M, Permana B, Maulidya SAI, Yuliana A (2019) Studi In Silico Metabolit Sekunder Kapang Monascus sp. sebagai Kandidat Obat Antikolesterol dan Antikanker. ALCHEMY Jurnal Penelitian Kimia 15(1):104–123 El Rhabori S, El Aissouq A, Chtita S, Khalil F (2022) 3D-QSAR, molecular docking and ADMET studies of thioquinazolinone derivatives against breast cancer. J Indian Chem Soc 99(10):100675 Perumalsamy V, Harish Kumar DR, Suresh S (2023) Conjugation of curcumin and metformin for improved pharmacological profile in cancer therapy: an in silico approach. Biointerface Res Appl Chem 13:1–15 Da Trindade R, Da Silva JK, Setzer WN (2018) Copaifera of the neotropics: a review of the phytochemistry and pharmacology. Int J Mol Sci 19(5):1511 Peria FM, Tiezzi DG, Tirapelli DP, Neto FS, Tirapelli CR, Ambrosio S et al (2010) Kaurenoic acid antitumor activity in breast cancer cells. J Clin Oncol 28(15_suppl):e13641–e13641 Robichaud GA, Picot N, Jean S, Carpenter C, Gray CA (2013) The characterization of anti-breast cancer compounds isolated from the Juniperus communis. Cancer Res 73(8_Supplement):2266–2266 Ferreira KCB, dos Santos Valle ABC, Gualberto ACM, Aleixo DT, Silva LM, Santos MM et al (2022) Kaurenoic acid nanocarriers regulates cytokine production and inhibit breast cancer cell migration. J Controll Release 352:712–725 Chammas SM, Sanchez JF, Alves RC, Giovannini LA & Maria DA (2023) Bioactive compounds of rosemary from the field: a review of the biological effects. Seven Editora 831–845 Robinson A (2009) A review of the use of exemestane in early breast cancer. Thera Clin Risk Manage 5:91–98. https://doi.org/10.2147/TCRM.S3422 Bell S, McNeish B, Dalton L, McLean K (2019) Aromatase inhibitor use, side-effects and discontinuation rates in gynecologic oncology patients. Gynecol Oncol 153(3):e16 Kosmidis PA, Deligianni E, Kosmidis T (2022) 247P Usage and side effects of each common aromatase inhibitor in 5 large European countries: real-world data analysis. Ann Oncol 33:S236 Sherman PW, Billing J (1999) Darwinian gastronomy: Why we use spices: spices taste good because they are good for us. Bioscience 49(6):453–463 Demain AL, Vaishnav P (2011) Natural products for cancer chemotherapy. Microb Biotechnol 4(6):687–699 Choudhari AS, Mandave PC, Deshpande M, Ranjekar P, Prakash O (2020) Phytochemicals in cancer treatment: From preclinical studies to clinical practice. Front Pharmacol 10:1614 Reddy LALINI, Odhav B, Bhoola KD (2003) Natural products for cancer prevention: a global perspective. Pharmacol Ther 99(1):1–13 Siu D (2011) Natural products and their role in cancer therapy. Med Oncol 28(3):888–900 Christensen SB (2021) Natural products that changed society. Biomedicines 9(5):472 Harvey AL, Edrada-Ebel R, Quinn RJ (2015) The re-emergence of natural products for drug discovery in the genomics era. Nat Rev Drug Discovery 14(2):111–129