GC-MS profiling and molecular docking of bioactive compounds from Strychnos lucida on reproductive protein targets
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Abstract. Sijid SA, Sonjaya H, Malaka R, Hasbi H. 2025. GC-MS profiling and molecular docking of bioactive compounds from Strychnos lucida on reproductive protein targets. Biodiversitas 26: 3469-3484. Strychnos lucida, locally known as Kayu Ular (KU), is traditionally used in various regions of Indonesia, commonly used to enhance stamina and vitality, with anecdotal claims suggesting benefits related to reproductive function. This study aimed to evaluate the plant’s potential in reproductive health through phytochemical screening, Fourier Transform Infrared Spectroscopy (FTIR), Gas Chromatography-Mass Spectrometry (GC-MS), and molecular docking analysis. The extract was obtained by macerating the plant material in 96% ethanol. Phytochemical screening confirmed the presence of flavonoids, alkaloids, tannins, and saponins, which are associated with antioxidant, anti-inflammatory, and hormonal modulatory activities. Among them, flavonoids and saponins are particularly known to improve fertility enhancement and hormonal balance. A total of 66 compounds were identified by GC-MS, with Lunacrine (52.71%) as the most abundant. Molecular docking was conducted on four dominant compounds—Lunacrine, (Z)-11-octadecenoic acid, hexadecanoic acid, and (9Z,12Z)-octadeca-9,12-dienoic acid—against five reproductive-related protein targets: AMPK, SIRT1, COX-2, PPAR-?, and Dynein. Lunacrine exhibited strong binding affinities with the target receptors AMPK (-7.8 kcal/mol), SIRT1 (-8.5 kcal/mol), and COX-2 (-8.9 kcal/mol), suggesting its potential to modulate energy metabolism, oxidative stress, and inflammation—critical processes in hormonal regulation and reproductive function. These findings support the traditional use of S. lucida for reproductive health and highlight Lunacrine as a promising candidate for further phytopharmaceutical development. Follow-up in vitro and in vivo studies are recommended to validate its therapeutic potential.
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References
Adebowale A, Lamb J, Nicholas A, Naidoo Y. 2016. Molecular systematics of southern African monkey orange Strychnos L. (Loganiaceae). Kew Bull 71: 17. DOI: 10.1007/s12225-016-9630-0.
Adewoyin M, Ibrahim M, Roszaman R, Md Isa ML, Mat Alewi NA, Abdul Rafa AA, Anuar MNN. 2017. Male infertility: The effect of natural antioxidants and phytocompounds on seminal oxidative stress. Diseases 5 (1): 9. DOI: 10.3390/diseases5010009.
Agamah FE, Mazandu GK, Hassan R, Bope CD, Thomford NE, Ghansah A, Chimusa ER. 2020. Computational/in silico methods in drug target and lead prediction. Brief Bioinform 21 (5): 1663-1675. DOI: 10.1093/bib/bbz103.
Alagbe JO. 2023. Bioactive compounds in ethanolic extract of Strychnos innocua root using gas chromatography and mass spectrometry (GC-MS). Drug Discov 17: e4dd1005. DOI: 10.53022/dd/4dd1005.
Alam F, Syed H, Amjad S, Baig M, Khan TA, Rehman R. 2021. Interplay between oxidative stress, SIRT1, reproductive and metabolic functions. Curr Res Physiol 4: 119-124. DOI: 10.1016/j.crphys.2021.03.002.
Aljohani GF, Zakaria NH, Majid FAA, Hudiyanti D, Anuar MNN. 2024. An integrated in silico-in vitro-in vivo approach for pharmacokinetic studies of andrographolide using aqueous extract of Andrographis paniculata (Burm. f.) Wall. ex Nees. Indones J Pharm 35 (4): 599-612. DOI: 10.22146/ijp.12745.
Azwanida NN. 2015. A review on the extraction methods use in medicinal plants, principle, strength and limitation. Med Aromat Plants 4 (3): 1000196. DOI: 10.4172/2167-0412.1000196.
Bai R, Yao C, Zhong Z, Ge J, Bai Z, Ye X, Xie T, Xie Y. 2021. Discovery of natural anti-inflammatory alkaloids: Potential leads for the drug discovery for the treatment of inflammation. Eur J Med Chem 213: 113165. DOI: 10.1016/j.ejmech.2021.113165.
BASF. 2023. Beta-bisabolene: safety data sheet. BASF Corporation. https://www.basf.com/global/en.html.
Behl T, Kumar K, Brisc C, Rus M, Nistor-Cseppento DC, Bustea C, Aron RAC, Pantis C, Zengin G, Sehgal A, Kaur R, Kumar A, Arora S, Setia D, Chandel D, Bungau S. 2021. Exploring the multifocal role of phytochemicals as immunomodulators. Biomed Pharmacother 133: 110959. DOI: 10.1016/j.biopha.2020.110959.
Bhardwaj JK, Panchal H, Saraf P. 2021. Ameliorating effects of natural antioxidant compounds on female infertility: A review. Reprod Sci 28 (5): 1227-1256. DOI: 10.1007/s43032-020-00312-5.
Bhati AP, Wan S, Wright DW, Coveney PV. 2017. Rapid, accurate, precise, and reliable relative free energy prediction using ensemble based thermodynamic integration. J Chem Theory Comput 13 (1): 210-222. DOI: 10.1021/acs.jctc.6b00979.
Bitwell C, Indra SS, Luke C, Kakoma MK. 2023. A review of modern and conventional extraction techniques and their applications for extracting phytochemicals from plants. Sci Afr 19: e01585. DOI: 10.1016/j.sciaf.2023.e01585.
Bonnet O, Beniddir MA, Champy P, Kagisha V, Nyirimigabo A, Hamann C, Jgerenaia G, Ledoux A, Tchinda AT, Angenot L, Frédérich M. 2022. Exploration by molecular networking of Strychnos alkaloids reveals the unexpected occurrence of strychnine in seven Strychnos species. J Toxicon 215: 57-68. DOI: 10.1016/j.toxicon.2022.06.002.
Bougarne N, Weyers B, Desmet SJ, Deckers J, Ray DW, Staels B, De Bosscher K. 2018. Molecular actions of PPAR? in lipid metabolism and inflammation. Endocr Rev 39 (5): 760-802. DOI: 10.1210/er.2018-00064.
Brunetti P, Lo Faro AF, Tini A, Busardò FP, Carlier J. 2020. Pharmacology of herbal sexual enhancers: A review of psychiatric and neurological adverse effects. Pharmaceuticals 13: 309. DOI: 10.3390/ph13100309.
Canty JT, Tan R, Kusakci E, Fernandes J, Yildiz A. 2021. Structure and mechanics of dynein motors. Ann Rev Biophys 50: 549-574. DOI: 10.1146/annurev-biophys-111020-101511.
Cassas F, Santos CLG, da Silva FMA, Cass QB. 2025. Strychnos peckii B.L.?Rob.: Secondary metabolite annotation by liquid chromatography tandem high resolution mass spectrometry with insights from biogenesis. Anal Bioanal Chem 2025: 1-13. DOI: 10.1007/s00216-025-05967-0.
Chang N, Li J, Lin S, Zhang J, Zeng W, Ma G, Wang Y. 2024. Emerging roles of SIRT1 activator, SRT2104, in disease treatment. Sci Rep 14: 5521. DOI: 10.1038/s41598-024-55923-8.
Chang Y, Hawkins BA, Du JJ, Groundwater PW, Hibbs DE, Lai F. 2022. A guide to in silico drug design. Pharmaceutics 15 (1): 49. DOI: 10.3390/pharmaceutics15010049.
Chen P-T, Yeong KY. 2024. New sirtuin modulators: Their uncovering, pharmacophore, and implications in drug discovery. Med Chem Res 33: 1064-1078. DOI: 10.1007/s00044-024-03249-5.
Cho H-M, Zhang M, Park E-J, Lee B-W, Park Y-J, Kim H-W, Pham H-T-T, Chin Y-W, Oh W-K. 2022. Flavonostilbenes isolated from the stems of Rhamnoneuron balansae as potential SIRT1 activators. J Nat Prod 85 (1): 70-82. DOI: 10.1021/acs.jnatprod.1c00689.
Choo MZY, Chai CLL. 2023. The polypharmacology of natural products in drug discovery and development. Ann Rep Med Chem 61: 55-100. DOI: 10.1016/bs.armc.2023.10.002.
Collodel G, Castellini C, Lee JC-Y, Signorini C. 2020. Relevance of fatty acids to sperm maturation and quality. Oxid Med Cell Longev 2020: 7038124. DOI: 10.1155/2020/7038124.
Cournia Z, Allen B, Sherman W. 2017. Relative binding free energy calculations in drug discovery: Recent advances and practical considerations. J Chem Inf Model 57 (12): 2911-2937. DOI: 10.1021/acs.jcim.7b00564.
Coy-Barrera E. 2020. Discrimination of naturally-occurring 2-arylbenzofurans as cyclooxygenase-2 inhibitors: Insights into the binding mode and enzymatic inhibitory activity. Biomolecules 10 (2): 176. DOI: 10.3390/biom10020176.
Cui X, Ma X, Li C, Meng H, Han C. 2023. A review: Structure-activity relationship between saponins and cellular immunity. Mol Biol Rep 50 (3): 2779-2793. DOI: 10.1007/s11033-022-08233-z.
Daina A, Michielin O, Zoete V. 2017. SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep 7: 42717. DOI: 10.1038/srep42717.
D'Angelo S, Mele E, Di Filippo F, Viggiano A, Meccariello R. 2021. Sirt1 activity in the brain: Simultaneous effects on energy homeostasis and reproduction. Intl J Environ Res Public Health 18 (3): 1243. DOI: 10.3390/ijerph18031243.
Deepasree K, Venugopal S. 2024. Molecular docking and molecular dynamic simulation studies to identify potential terpenes against Internalin A protein of Listeria monocytogenes. Front Bioinform 4: 1463750. DOI: 10.3389/fbinf.2024.1463750.
Dubale S, Kebebe D, Zeynudin A, Abdissa N, Suleman S. 2023. Phytochemical screening and antimicrobial activity evaluation of selected medicinal plants in Ethiopia. J Exp Pharmacol 15: 51-62. DOI: 10.2147/jep.s379805.
Engel DMC, Paul M, Chalasani S, Gonsalves L, Ross DA, Chandra-Mouli V, Cole CB, de Carvalho Eriksson C, Hayes B, Philipose A, Beadle S, Ferguson BJ. 2019. A package of sexual and reproductive health and rights interventions—what does it mean for adolescents? J Adolesc Health 65: S41-S50. DOI: 10.1016/j.jadohealth.2019.09.014.
Estienne A, Bongrani A, Ramé C, Kurowska P, B?aszczyk K, Rak A, Ducluzeau P-H, Froment P, Dupont J. 2021. Energy sensors and reproductive Hypothalamo-Pituitary Ovarian axis (HPO) in female mammals: Role of mTOR (mammalian Target of Rapamycin), AMPK (AMP-activated protein Kinase) and SIRT1 (Sirtuin 1). Mol Cell Endocrinol 521: 111113. DOI: 10.1016/j.mce.2020.111113.
Flores D, Jerves C. 2025. Computational comparison of the binding affinity of selective and nonselective NSAIDs to COX 2 using molecular docking. BioNatura J 2: 1-14. DOI: 10.70099/BJ/2025.02.02.3.
Fonmboh DJ, Abah ER, Fokunang TE, Herve B, Teke GN, Rose NM, Borgia NN, Fokunang LB, Andrew BN, Kaba N, Bathelemy N, Ntungwen FC. 2020. An overview of methods of extraction, isolation and characterization of natural medicinal plant products in improved traditional medicine research. Asian J Res Med Pharm Sci 9 (2): 31-57. DOI: 10.9734/ajrimps/2020/v9i230152.
Froment P, Plotton I, Giulivi C et al. 2022. At the crossroads of fertility and metabolism: The importance of AMPK-dependent signaling in female infertility associated with hyperandrogenism. Hum Reprod 37 (6): 1207-1228. DOI: 10.1093/humrep/deac067.
Fumagalli E, Pintor MP, Suhrcke M. 2024. The impact of health on economic growth: A narrative literature review. Health Policy 143: 105039. DOI: 10.1016/j.healthpol.2024.105039.
Guan T, Bian C, Ma Z. 2023. In vitro and in silico perspectives on the activation of antioxidant responsive element by citrus-derived flavonoids. Front Nutr 10: 1257172. DOI: 10.3389/fnut.2023.1257172.
Gunawan E, Toruan AAL, Rusnaeni R, Appa FE. 2022. Aktivitas antikoagulan dari tumbuhan kayu ular (Strychnos lucida R. Br.). Jurnal Biologi Papua 14: 129-136. DOI: 10.31957/jbp.1494. [Indonesian]
Gusmailina G, Komarayati S. 2015. Exploration of organic compounds strychnine bush (Strychnos lucida) as source of medicines. Pros Sem Nas Masy Biodiv Indon 1: 1741-1746. DOI: 10.13057/psnmbi/m010738.
He S, Gillies JL, Zang JL, Córdoba-Beldad CM, Yamamoto I, Fujiwara Y, Grantham J, DeSantis ME, Shibuya H. 2023. Distinct dynein complexes defined by DYNLRB1 and DYNLRB2 regulate mitotic and male meiotic spindle bipolarity. Nat Commun 14 (1): 1715. DOI: 10.1038/s41467-023-37370-7.
Hidayat S, Zuhud EAM, Widyatmoko D. 2020. Medicinal plants of the Lesser Sunda Islands. IOP Conf Ser: Earth Environ Sci 528: 012017. DOI: 10.1088/1755-1315/528/1/012017.
Hu X, Ge X, Liang W, Shao Y, Jing J, Wang C, Zeng R, Yao B. 2018. Effects of saturated palmitic acid and omega-3 polyunsaturated fatty acids on Sertoli cell apoptosis. Syst Biol Reprod Med 64 (5): 368-380. DOI: 10.1080/19396368.2018.1471554.
Ibrahim H, Uttu AJ, Sallau MS, Iyun ORA. 2021. Gas Chromatography-Mass Spectrometry (GC-MS) analysis of ethyl acetate root bark extract of Strychnos innocua (Delile). Beni-Suef Univ J Basic Appl Sci 10: 65. DOI: 10.1186/s43088-021-00156-1.
Inaba K, Mizuno K. 2016. Sperm dysfunction and ciliopathy. Reprod Med Biol 15 (2): 77-94. DOI: 10.1007/s12522-015-0225-5.
Khan A, Diwan A, Thabet HK, Imran M, Bakht MA. 2020. Discovery of novel pyridazine-based cyclooxygenase-2 inhibitors with a promising gastric safety profile. Molecules 25 (9): 2002. DOI: 10.3390/molecules25092002.
Khasanah U, Ariani N, Aprilia YN, Winarsih S. 2022. Phytochemical screening and haem polymerization inhibitory activity of root extract and fractions from Strychnos lucida R. Br. Pharmacogn Commun 12 (2): 40-43. DOI: 10.5530/pc.2022.2.10.
Kim MJ, An HJ, Kim DH, Lee B, Lee HJ, Ullah S, Kim SJ, Jeong HO, Moon KM, Lee EK, Yang J, Akter J, Chun P, Moon HR, Chung HY. 2018. Novel SIRT1 activator MHY2233 improves glucose tolerance and reduces hepatic lipid accumulation in db/db mice. Bioorg Med Chem Lett 28 (4): 684-688. DOI: 10.1016/j.bmcl.2018.01.021.
Kimura I, Ichimura A, Ohue-Kitano R, Igarashi M. 2019. Free fatty acid receptors in health and disease. Physiol Rev 100 (1): 171-210. DOI: 10.1152/physrev.00041.2018.
Krakowska-Sieprawska A, Kie?basa A, Rafi?ska K, Ligor M, Buszewski B. 2022. Modern methods of pre-treatment of plant material for the extraction of bioactive compounds. Molecules 27 (3): 730. DOI: 10.3390/molecules27030730.
Kulandaisamy A, Lathi V, ViswaPoorani K, Yugandhar K, Gromiha MM. 2017. Important amino acid residues involved in folding and binding of protein-protein complexes. Intl J Biol Macromol 94: 438-444. DOI: 10.1016/j.ijbiomac.2016.10.045.
Kumar P, Rai SK, Sarangi PP. 2024. An in silico study reveals that a C terminal fragment of the adhesion protein Fibulin7 (Fbln7 C) regulates the activation of integrin ?5?1 through dynamics of VWA and the hybrid domain in the ?1 subunit. J Biomol Struct Dyn 23: 1-20. DOI: 10.1080/07391102.2024.2431189.
Kunu MB, Baszary CDU, Killay A. 2020. Administrated of snake wood (Strychnos lucida) to decreased abnormality spermatozoa of mice (Mus musculus) diabetes mellitus modeling. Rumphius Pattimura Biol J 2 (2): 37-42. DOI: 10.30598/rumphiusv2i2p037-042.
Lai Z-Z, Yang H-L, Ha S-Y, Chang K-K, Mei J, Zhou W-J, Qiu X-M, Wang X-Q, Zhu R, Li D-J, Li M-Q. 2019. Cyclooxygenase-2 in endometriosis. Intl J Biol Sci 15: 2783-2792. DOI: 10.7150/ijbs.35128.
Latolla N, Reddy S, van de Venter M, Hlangothi B. 2024. Phytochemical composition, cytotoxicity, antioxidant, and antidiabetic enzyme inhibition potential of Strychnos henningsii Gilg. S Afr J Bot 174: 894-901. DOI: 10.1016/j.sajb.2024.09.054.
Laumonier Y, Nasi R. 2018. The last natural seasonal forests of Indonesia: Implications for forest management and conservation. Appl Veg Sci 21 (3): 461-476. DOI: 10.1111/avsc.12377.
Li S, Liu X, Chen X, Bi L. 2020. Research progress on anti-inflammatory effects and mechanisms of alkaloids from Chinese medical herbs. Evid Based Complement Alternat Med 2020: 1303524. DOI: 10.1155/2020/1303524.
Li Y, Zhan M, Li J, Zhang W, Shang X. 2023. Lycopene alleviates lipopolysaccharide-induced testicular injury in rats by activating the PPAR signaling pathway to integrate lipid metabolism and the inflammatory response. Transl Androl Urol 12 (2): 271-285. DOI: 10.21037/tau-22-864.
Liman MS, Franco V, Cardoso CL, Longobardi V, Gasparrini B, Wheeler MB, Rubessa M, Esposito G. 2021. Effects of dietary supplementation of conjugated linoleic acids and their inclusion in semen extenders on bovine sperm quality. Animals 11: 483. DOI: 10.3390/ani11020483.
Liu M, Guo S, Li X, Tian Y, Yu Y, Tang L, Sun Q, Zhang T, Fan M, Zhang L, Xu Y, An J, Gao X, Han L, Zhang L. 2024. Semaglutide alleviates ovary inflammation via the AMPK/SIRT1/NF ?B signaling pathway in polycystic ovary syndrome mice. Drug Des Devel Ther 18: 3925-3938. DOI: 10.2147/dddt.s484531.
Liu Y, Colby JK, Zuo X, Jaoude J, Wei D, Shureiqi I. 2018. The role of PPAR-? in metabolism, inflammation, and cancer: many characters of a critical transcription factor. Intl J Mol Sci 19 (11): 3339. DOI: 10.3390/ijms19113339.
Makani I, Marenga W, Lekgoba T, Rantong G, Sithole NT, Ntuli F, Kandjou V, Renu R. 2025. The characteristics and efficiency of Strychnos potatorum as a medicinal plant and water purification agent: A review. Intl J Environ Sci Technol 22: 9781-9792. DOI: 10.1007/s13762-025-06398-1.
Mandal SK, Kumar BK, Sharma PK, Murugesan S, Deepa PR. 2022. In silico and in vitro analysis of PPAR-?/? dual agonists: Comparative evaluation of potential phytochemicals with anti-obesity drug orlistat. Comput Biol Med 147: 105796. DOI: 10.1016/j.compbiomed.2022.105796.
Manurung H, Sari RK, Syafii W, Cahyaningsih U, Ekasari W. 2019. Antimalarial activity and phytochemical profile of ethanolic and aqueous extracts of bidara laut (Strychnos ligustrina Blum) wood. J Korean Wood Sci Technol 47 (5): 587-596. DOI: 10.5658/wood.2019.47.5.587.
Martin-Hidalgo D, Hurtado de Llera A, Calle-Guisado V, Gonzalez-Fernandez L, Garcia-Marin L, Bragado MJ. 2018. AMPK function in mammalian spermatozoa. Intl J Mol Sci 19 (11): 3293. DOI: 10.3390/ijms19113293.
MedChemExpress. 2023. Neophytadiene: Safety and pharmacological profile. https://www.medchemexpress.com/Neophytadiene.html
Mondal S, Rahaman ST. 2020. Flavonoids: A vital resource in healthcare and medicine. Pharm Pharmacol Intl J 8 (2): 91-104. DOI: 10.15406/ppij.2020.08.00294.
Moon DO. 2024. Plant-derived flavonoids as AMPK activators: Unveiling their potential in type 2 diabetes management through mechanistic insights, docking studies, and pharmacokinetics. Appl Sci 14 (19): 8607. DOI: 10.3390/app14198607.
Mota NSRS, Kviecinski MR, Felipe KB, Grinevicius VMAS, Siminski T, Almeida GM, Zeferino RC, Pich CT, Filho DW, Pedrosa RC. 2020. ?-carboline alkaloid harmine induces DNA damage and triggers apoptosis by a mitochondrial pathway: Study in silico, in vitro and in vivo. Intl J Funct Nutr 1 (1): 1. DOI: 10.36105/ijfn.2020v01.01.001.
Muhammed MT, Aki-Yalcin E. 2024. Molecular docking: Principles, advances, and its applications in drug discovery. Lett Drug Des Discov 21: 480-495. DOI: 10.2174/1570180819666220922103109.
Nandiyanto ABD, Ragadhita R, Fiandini M. 2023. Interpretation of Fourier Transform Infrared Spectra (FTIR): A practical approach in the polymer/plastic thermal decomposition. Indones J Sci Technol 8 (1): 113-126. DOI: 10.17509/ijost.v8i1.53297.
Özgenç Ö, Durmaz S, Boyaci IH, Eksi-Kocak H. 2017. Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry. Spectrochim Acta A Mol Biomol Spectrosc 171: 395-400. DOI: 10.1016/j.saa.2016.08.026.
Pagadala NS, Syed K, Tuszynski J. 2017. Software for molecular docking: A review. Biophys Rev 9: 91-102. DOI: 10.1007/s12551-016-0247-1.
Pasieczna-Patkowska S, Cichy M, Flieger J. 2025. Application of Fourier Transform Infrared (FTIR) spectroscopy in characterization of green synthesized nanoparticles. Molecules 30 (3): 684. DOI: 10.3390/molecules30030684.
Patalas-Krawczyk P, Malinska D, Walczak J, Kratzer G, Prill M, Michalska B, Drabik K, Titz B, Eb-Levadoux Y, Schneider T, Szymanski J, Hoeng J, Peitsch MC, Duszynski J, Szczepanowska J, der Toorn MV, Mathis C, Wieckowski MR. 2021. Effects of plant alkaloids on mitochondrial bioenergetic parameters. Food Chem Toxicol 154: 112316. DOI: 10.1016/j.fct.2021.112316.
Pereira R, Carvalho V, Dias C, Barbosa T, Oliveira J, Alves Â, Oliveira E, Sá R, Sousa M. 2023. Characterization of a DRC1 null variant associated with primary ciliary dyskinesia and female infertility. J Assist Reprod Genet 40 (4): 765-778. DOI: 10.1007/s10815-023-02755-6.
Przybycie? P, G?sior-Perczak D, Placha W. 2022. Cannabinoids and PPAR ligands: The future in treatment of polycystic ovary syndrome women with obesity and reduced fertility. Cells 11 (16): 2569. DOI: 10.3390/cells11162569.
PubChem. 2024. 2-ethylhexanal - compound summary. National Center for Biotechnology Information.
Rahayu AAD, Prihantini AI, Krisnawati, Nugraheni YMMA. 2022. Chemical components of different parts of Strychnos ligustrina, a medicinal plant from Indonesia. IOP Conf Ser: Earth Environ Sci 959: 012061. DOI: 10.1088/1755-1315/959/1/012061.
Reichardt C. 2021. Solvation effects in organic chemistry: A short historical overview. J Org Chem 87: 1616-1629. DOI: 10.1021/acs.joc.1c01979.
Ren M, Wang Y, Lin L, Li S, Ma Q. 2022. ?-linolenic acid screened by molecular docking attenuates inflammation by regulating Th1/Th2 imbalance in ovalbumin-induced mice of allergic rhinitis. Molecules 27 (18): 5893. DOI: 10.3390/molecules27185893.
Santoro M, De Amicis F, Aquila S, Bonofiglio D. 2020. Peroxisome proliferator-activated receptor gamma expression along the male genital system and its role in male fertility. Hum Reprod 35 (9): 2072-2085. DOI: 10.1093/humrep/deaa153.
Sembiring MH, Nursanti O, Rahmania TA. 2023. Molecular docking and toxicity studies of nerve agents against Acetylcholinesterase (AChE). J Recept Signal Transduct Res 43 (5): 115-122. DOI: 10.1080/10799893.2023.2298899.
Sena LA, Denmeade SR. 2021. Fatty acid synthesis in prostate cancer: Vulnerability or epiphenomenon? Cancer Res 81 (17): 4385-4393. DOI: 10.1158/0008-5472.can-21-1392.
Setubal RB, Struwe L, Forzza RC. 2025. Revision of Strychnos sect. Breviflorae subsect. Eriospermae (Loganiaceae): A fibrous testa seeded group. Brittonia 77: 85-121. DOI: 10.1007/s12228-024-09822-x.
Setyayudi A, Krisnawati K, Nandini R. 2019. Exploration of bidara laut (Strychnos lucida) parent trees in Gunung Tunak Ecotourism Park, West Nusa Tenggara, Indonesia. Biodiversitas 20 (1): 274-278. DOI: 10.13057/biodiv/d200144.
Silva MC, Cunha G, Firmino P, Sallum LO, Menezes A, Dutra J, de Araujo-Neto J, Batista AA, Ellena J, Napolitano HB. 2023. Structural and anticancer studies of methoxyflavone derivative from Strychnos pseudoquina A. St.-Hil. (Loganiaceae) from Brazilian Cerrado. ACS Omega 8 (43): 40764-40774. DOI: 10.1021/acsomega.3c05841.
Singh DB, Pathak RK. 2020. Computational approaches in drug designing and their applications. In: Gupta N, Gupta V (eds). Experimental Protocols in Biotechnology. Springer Protocols Handbooks, Humana, New York, NY. DOI: 10.1007/978-1-0716-0607-0_6.
Sladden T, Philpott A, Braeken D, Castellanos-Usigli A, Yadav V, Christie E, Gonsalves L, Mofokeng T. 2021. Sexual health and wellbeing through the life course: Ensuring sexual health, rights and pleasure for all. Intl J Sex Health 33: 565-571. DOI: 10.1080/19317611.2021.1991071.
Smith BC. 2022. The infrared spectra of polymers, VI: Polymers with C-O bonds. Spectroscopy 37: 15-19. DOI: 10.56530/spectroscopy.ly3071f5.
Sobhani M, Farzaei MH, Kiani S, Khodarahmi R. 2021. Immunomodulatory; anti-inflammatory/antioxidant effects of polyphenols: A comparative review on the parental compounds and their metabolites. Food Rev Intl 37 (8): 759-811. DOI: 10.1080/87559129.2020.1717523.
Sokal A, Wrzalik R, Klimontko J, Chrobak E, B?benek E, Kadela-Tomanek M. 2023. 5,8-Quinolinedione attached to quinone derivatives: XRD diffraction, fourier transform infrared spectra and computational analysis. Molbank 2023 (4): M1747. DOI: 10.3390/M1747.
Souza TAA, Menezes ACS, Santos CKG, Jesus FG, Rocha EC, Araújo MS. 2024. Toxicity of bioactive compounds of Strychnos pseudoquina (Loganiaceae) in Spodoptera frugiperda (Noctuidae). Sustainability 16 (11): 4430. DOI: 10.3390/su16114430.
Starrs AM, Ezeh AC, Barker G et al. 2018. Accelerate progress—sexual and reproductive health and rights for all: Report of the Guttmacher-Lancet Commission. Lancet 391 (10140): 2642-2692. DOI: 10.1016/S0140-6736(18)30293-9.
Sugimoto Y, Inazumi T, Tsuchiya S. 2015. Roles of prostaglandin receptors in female reproduction. J Biochem 157 (2): 73-80. DOI: 10.1093/jb/mvu081.
Sultana A, Rahman K, Heyat MBB, Sumbul, Akhtar F, Muaad AY. 2022. Role of inflammation, oxidative stress, and mitochondrial changes in premenstrual psychosomatic behavioral symptoms with anti?inflammatory, antioxidant herbs, and nutritional supplements. Oxid Med Cell Longev 2022: 3599246. DOI: 10.1155/2022/3599246.
Surpeta B, Sequeiros-Borja CE, Brezovsky J. 2020. Dynamics, a powerful component of current and future in silico approaches for protein design and engineering. Intl J Mol Sci 21 (8): 2713. DOI: 10.3390/ijms21082713.
Tan H, Wu J, Zhang R, Zhang C, Li W, Chen Q, Zhang X, Yu H, Shi W. 2022. Development, validation, and application of a human reproductive toxicity prediction model based on adverse outcome pathway. Environ Sci Technol 56: 12391-12403. DOI: 10.1021/acs.est.2c02242.
Tecchio KB, de Moura Alves F, Alves JD, de Souza Barbosa C, Salgado MAR, da Silva Vieira Dos Santos VJ, de Pilla Varotti F, de Almeida Campos-Junior PH, Viana GHR, Dos Santos FV. 2024. Evaluation of the in vivo acute toxicity and in vitro genotoxicity and mutagenicity of synthetic ?-carboline alkaloids with selective cytotoxic activity against ovarian and breast cancer cell lines. Mutat Res Genet Toxicol Environ Mutagen 899: 503808. DOI: 10.1016/j.mrgentox.2024.503808.
Tittikpina NK, Atakpama W, Hoekou Y, Diop YM, Batawila K, Akapagana K. 2020. Strychnos spinosa Lam: Comprehensive review on its medicinal and nutritional uses. Afr J Tradit Complement Altern Med 17 (2): 8-28. DOI: 10.21010/ajtcam.v17i2.2.
Travasarou A, Angelopoulou MT, Vougogiannopoulou K, Papadopoulou A, Aligiannis N, Cantrell CL, Kletsas D, Fokialakis N, Pratsinis H. 2019. Bioactive metabolites of the stem bark of Strychnos aff. darienensis and evaluation of their antioxidant and UV protection activity in human skin cell cultures. Cosmetics 6 (1): 7. DOI: 10.3390/cosmetics6010007.
Tsugawa H, Fukusaki E. 2020. Effectiveness of metabolomics research using gas chromatograph/quadrupole mass spectrometer with high-sensitivity and high-speed scanning. Shimadzu Tech Rep C146-C217: 1-6.
Tuli H, Sood S, Pundir A, Choudhary D, Dhama K, Kaur G, Seth P, Vashishth A, Kumar P. 2022. Molecular docking studies of apigenin, kaempferol, and quercetin as potential targets against spike receptor protein of SARS-CoV. J Exp Biol Agric Sci 10 (1): 144-149. DOI: 10.18006/2022.10(1).144.149.
Ukwubile CA, Malgwi TS, Menkiti ND. 2024. Examining the isolation of bioactive compounds, antinociceptive, and anti inflammatory activities of Strychnos spinosa Lam. (Loganiaceae) stembark extract. Pharm Biomed Res 10 (1): 23-32. DOI: 10.32598/PBR.10.1.1162.1.
Wan S, Bhati AP, Zasada SJ, Coveney PV. 2020. Rapid, accurate, precise and reproducible ligand-protein binding free energy prediction. Interface Focus 10 (6): 20200007. DOI: 10.1098/rsfs.2020.0007.
Wen Q, Tang EI, Lui W-Y, Lee WM, Wong CKC, Silvestrini B, Cheng CY. 2018. Dynein 1 supports spermatid transport and spermiation during spermatogenesis in the rat testis. Am J Physiol Endocrinol Metab 315 (5): E924-E948. DOI: 10.1152/ajpendo.00114.2018.
WHO [World Health Organization]. 2018. WHO recommendations on adolescent sexual and reproductive health and rights. WHO, Geneva.
Wici?ski M, Erdmann J, Nowacka A, Ku?mi?ski O, Michalak K, Janowski K, Ohla J, Biernaciak A, Szambelan M, Zabrzy?ski J. 2023. Natural phytochemicals as SIRT activators-Focus on potential biochemical mechanisms. Nutrients 15 (16): 3578. DOI: 10.3390/nu15163578.
Yamamoto Y, Takei K, Arulmozhiraja S, Sladek V, Matsuo N, Han S-I, Matsuzaka T, Sekiya M, Tokiwa T, Shoji M, Shigeta Y, Nakagawa Y, Tokiwa H, Shimano H. 2018. Molecular association model of PPAR? and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARM?. Biochem Biophys Res Commun 499 (2): 239-245. DOI: 10.1016/j.bbrc.2018.03.135.
Yang W, Wang L, Wang F, Yuan S. 2020. Roles of AMP-activated protein Kinase (AMPK) in mammalian reproduction. Front Cell Dev Biol 8: 593005. DOI: 10.3389/fcell.2020.593005.
Younus S, Vinod Chandra SS, Nair ASS. 2021. Docking and dynamic simulation study of crizotinib and temozolomide drug with glioblastoma and NSCLC target to identify better efficacy of the drug. Future J Pharm Sci 7: 187. DOI: 10.1186/s43094-021-00323-2.
Yu L, Shen N, Ren J, Xin H, Cui Y. 2025. Resource distribution, pharmacological activity, toxicology and clinical drugs of ?-carboline alkaloids: an updated and systematic review. Fitoterapia 180: 106326. DOI: 10.1016/j.fitote.2024.106326.
Yuan H, Ma Q, Ye L, Piao G. 2016. The traditional medicine and modern medicine from natural products. Molecules 21 (5): 559. DOI: 10.3390/molecules21050559.
Yueniwati Y, Syaban MFR, Faratisha IFD, Yunita KC, Kurniawan DB, Putra GFA, Erwan NE. 2021. Molecular docking approach of natural compound from herbal medicine in Java against severe acute respiratory syndrome coronavirus-2 receptor. Maced J Med Sci 9: 1181-1186. DOI: 10.3889/oamjms.2021.6963.
Zhao L, Cao J, Hu K, He X, Yun D, Tong T, Han L. 2020. Sirtuins and their biological relevance in aging and age-related diseases. Aging Dis 11 (4): 927-945. DOI: 10.14336/AD.2019.0820.