Comprehensive Phytochemical Profiling, GC-MS Analysis, Molecular Docking and Antiproliferative Activity of Ethanol Fraction of Tabernaemontana coronaria and Thunbergia alata
Authors
-
Jawaharlal Nehru Technological University, Kukatpally, Hyderabad - 500085, Telangana ,IN
Swapna Neela -
Department of Pharmaceutical Chemistry, JNTUH College of Pharmacy, Sultanpur, Sangareddy - 502273, Telangana ,INMakula Ajitha
-
Department of Pharmaceutical Chemistry, Teegala Krishna Reddy College of Pharmacy, Meerpet, Hyderabad - 500097, Telangana ,INVijaya Kuchana
DOI:
https://doi.org/10.18311/jnr/2024/41547Keywords:
Angiogenesis, Bioactive Compounds, Docking, Phytochemicals, Zebra FishAbstract
Objective: Current study involves the phytochemical examination, GC MS testing of ethanol fraction of leaves of two plants Tabernaemontana coronaria and Thunbergia alata. Methods: Both ethanol fractions of selected plants were subjected to In vitro antiproliferative activity by employing MTT assay on A549 cell lines. Zebra Fish fin model and zebra fish embryo tests were employed to assess the fin regeneration and effect on angiogenesis respectively. Results: The phytochemical screening discovered existence of terpenoids, proteins, carbohydrates, phenols, tannins, saponins, flavonoids, glycosides, and alkaloids in both T. coronaria and T. alata. The GC MS profile of the ethanol portion of T. coronaria leaves identified 16 components, while the ethanol fraction of T. alata leaves had 14 components. The molecular docking experiments showed that compound 1 and compound 4 had favorable docking energies of -8.7 kcal.mol-1and -8.2 kcal.mol-1, correspondingly, in the site of JNK-1 kinase. Compound 4 established hydrogen bond interactions with Ser34 and Asp169 in the catalytic and DFG motif regions of the JNK-1, respectively. Compounds 3 and 7, with docking energies of -6.4 and -7.9 kcal.mol-1, correspondingly, also resided in active motif of JNK-1. Compound 2 had docking energy of -5.4 kcal.mol-1 and was well placed in the protein cavity. Regarding the binding of compounds in the KAS III, compound 4 had an excellent docking energy of -8.0kcal.mol-1, and compound 2 had docking energy -5.9 kcal.mol-1. Both compounds were well placed in the active pocket of KAS III macromolecule and established hydrogen bond interactions with Asn260 and Arg262. Compound 4 also established hydrophobic contacts with Arg46 and Arg223. Conclusion: The study states that T. coronaria and T. alata treatment strongly inhibited A549 cells viability, and cell volume expansion, which result in cell proliferation. Likewise, a noteworthy decrease in fin regeneration and reduction in percentage vessel growth was observed in zebra fish and embryo assays.
Downloads
Metrics
Published
How to Cite
License
Copyright (c) 2024 Swapna Neela, Makula Ajitha, Vijaya Kuchana (Author)
This work is licensed under a Creative Commons Attribution 4.0 International License.
Accepted 2024-07-15
Published 2024-08-31
References
Saravanan R, Raja K, Shanthi D. GC-MS analysis, Molecular docking and pharmacokinetic properties of phytocompounds from Solanum torvum unripe fruits and its effect on breast cancer target protein. Appl Bio chem Bio tech nol. 2022; 194(1):529-55. https://doi.org/10.1007/ s12010-021-03698-3 PMid:34643844 PMCid:PMC8760204
Mahomoodally MF. Traditional medicines in Africa: An appraisal of ten potent African medicinal plants. eCAM. 2013; 617459. https://doi.org/10.1155/2013/617459 PMid:24367388 PMCid:PMC3866779
Nisha K, Darshana M, Madhu G, Bhupendra MK. GC-MS analysis and anti-microbial activity of Psidium guajava (leaves) grown in Malva region of India. IJDDR. 2011; 3(4):237-45.
Starlin T, Prabha PS, Thayakumar BK, Gopalakrishnan VK. Screening and GC-MS profiling of ethanolic extract of Tylophora pauciflora. Bio information. 2019; 15(6):425. https://doi.org/10.6026/97320630015425 PMid:31312080 PMCid:PMC6614127
Kumar A, Banerjee N, Singamaneni V, Dokuparthi SK, Chakrabarti T, Mukhopadhyay S. Phytochemical investigations and evaluation of antimutagenic activity of the alcoholic extract of Glycosmispent aphylla and Tabernaemontana coronaria by Ames test. Nat Prod Res. 2018; 32(5):582-7. https://doi.org/10.1080/14786419.2017.1318384 PMid:28423921
Ntuli SSBN, Gelderblom WCA, Katerere DR. The mutagenic and antimutagenic activity of Sutherlandia frutescens extracts and marker compounds. BMC Complement Altern Med. 2018; 18(1):93. https://doi.org/10.1186/s12906-0182159-z PMid:29544492 PMCid:PMC5856389
El-Gayed SH, Kandil ZA, Abdelrahman EH. Cycloartanes from Tabernaemontana coronaria (Jacq) Willd flowers with their cytotoxicity against MCF7 and HCT116 cancer cell lines. J Pharma cogn Phyto chem. 2015; 4(3):35-41.
Uma C, Poornima K, Surya S, Ravikumar G, Gopalakrishnan VK. Nephroprotective effect of ethanolic extract of Tabernaemontana coronaria in mercuric chloride induced renal damage in wistar albino rats. Int J Chem Eng Appl. 2012; 3(4):269. https://doi.org/10.7763/IJCEA.2012.V3.198
Pushpa B, Latha KP, Vaidya VP, Shruthi A, Shweath C. In vitro anthelmintic activity of leaves extracts of Tabernaemontana coronaria. Int J Chemtech Res. 2011; 3(4):1788-90.
Raghavendra HL, Prashithkekuda TR, Chetan DM. Phytochemical analysis and In vitro antioxidant activity of Rubusapetalus Poir (Rosaceae). Pharmacol OnLine. 2018; 1:187-95.
Jenifer S, Priya S, Laveena DK, Singh SJ, Jeyasree J. Sensitivity patterns of some flowering plants against Salmonella typhi and Pseudomonas aeruginosa. J Pharm Sci. 2014; 3:1212-20.
Housti F, Andary C, Gargadennec A, Amssa M. Effects of wounding and salicylic acid on hydroxycinnamoylmalic acids in Thunbergia alata. Plant Physiol Bio Chem. 2002; 40(9):761-9. https://doi.org/10.1016/S09819428(02)01427-4
Damtoft S, Frederiksen LB, Jensen SR. Alatoside and thunaloside, two iridoid glucosides from Thunbergia alata. Phytochem. 1994; 35(5):1259-61. https://doi.org/10.1016/ S0031-9422(00)94832-5
Rady I, Bloch MB, Chamcheu RC, BanangMbeumi S, Anwar MR, Mohamed H, Babatunde AS, Kuiate JR, Noubissi FK, El Sayed KA, Whitfield GK. Anticancer properties of graviola (Annona muricata): a comprehensive mechanistic review. Oxid Med Cell Longev. 2018. p. 1-39. https://doi.org/10.1155/2018/1826170 PMid:30151067 PMCid:PMC6091294
Ammar YA, El-Sharief AM, Belal A, Abbas SY, Mohamed YA, Mehany AB, Ragab A. Design, synthesis, antiproliferative activity, molecular docking and cell cycle analysis of some novel (morpholinosulfonyl) isatins with potential EGFR inhibitory activity. Eur J Med Chem. 2018; 156:918-32. https://doi.org/10.1016/j.ejmech.2018.06.061 PMid:30096580
MdNesran ZN, Shafie NH, Ishak AH, MohdEsa N, Ismail A, MdTohid SF. Induction of endoplasmic reticulum stress pathway by green tea epigallocatechin-3-gallate (EGCG) in colorectal cancer cells: activation of PERK/peIF2α/ ATF4 and IRE1α. Biomed Res Int. 2019; 2019. https://doi.org/10.1155/2019/3480569 PMid:31930117 PMCid:PMC6942794
Rady I, Siddiqui IA, Rady M, Mukhtar H. Melittin, a major peptide component of bee venom, and its conjugates in cancer therapy. Cancer Lett. 2017; 402:16-31. https://doi.org/10.1016/j.canlet.2017.05.010 PMid:28536009 PMCid:PMC5682937
Islam MR, Akash S, Rahman MM, Nowrin FT, Akter T, Shohag S, Rauf A, Aljohani ASM, Simal-Gandara J. Colon cancer and colorectal cancer: Prevention and treatment by potential natural products. Chem Biol Interact. 2022; 368:110170. https://doi.org/10.1016/j.cbi.2022.110170 PMid:36202214
Mahadevappa R, Kwok HF. Phytochemicals - A novel and prominent source of anti-cancer drugs against colorectal cancer. Journal Comb Chem High Throughput Screen. 2017; 20(5):376-94. https://doi.org/10.2174/138620732066 6170112141833 PMid:28078982
Bakshi L, Ghosh R. Marigold biopesticide as an alternative to conventional chemical pesticides. J Adv Sci Res. 2022; 13(05):26-33. https://doi.org/10.55218/JASR.202213503
Kumar A, Banerjee N, Singamaneni V, K Dokuparthi S, Chakrabarti T, Mukhopadhyay S. Phytochemical investigations and evaluation of antimutagenic activity of the alcoholic extract of Glycosmis pentaphylla and Tabernaemontana coronaria by Ames test. Nat Prod Res. 2018; 32(5):582-587. https://doi.org/ 10.1080/14786419.2017.1318384 PMid:28423921
Karkossa F, Klein S. Individualized In vitro and in silico methods for predicting in vivo performance of entericcoated tablets containing a narrow therapeutic index drug. Eur J Pharm Biopharm. 2019; 135:13-24. https://doi.org/10.1016/j.ejpb.2018.12.004 PMid:30529296
Saeed N, Khan MR, Shabbir M. Antioxidant activity, total phenolic and total flavonoid contents of whole plant extracts Torilis leptophylla L. BMC Complement Altern Med. 2012; 12(1):1-2. https://doi.org/10.1186/1472-688212-221 PMid:23153304 PMCid:PMC3524761
Ma J, Huang J, Hua S, Zhang Y, Zhang Y, Li T, Dong L, Gao Q, Fu X. The ethnopharmacology, phytochemistry and pharmacology of Angelica biserrata - A review. J Ethnopharmacol. 2019; 231:152-69. https://doi.org/10.1016/j.jep.2018.10.040 PMid:30408534
Huang Y, Zhai Y, Huang Y, Huang Y, Liu K, Zhang J, Zhou J. Effects of light intensity on physiological characteristics and expression of genes in coumarin biosynthetic pathway of Angelica dahurica. Int J Mol Sci. 2022; 23(24):15912. https://doi.org/10.3390/ijms232415912 PMid:36555551 PMCid:PMC9781474
Sharma DK, Dave RS, Shah KR. Proximate analysis, preliminary phytochemical screening and characterization of compounds by GC-MS from “Cycas revoluta”. Vegetos. 2022. p. 1-7. https://doi.org/10.1007/ s42535-021-00338-3
Wangchuk P, Keller PA, Pyne SG, Taweechotipatr M, Kamchonwongpaisan S. GC/GC-MS analysis, isolation and identification of bioactive essential oil components from the Bhutanese medicinal plant, Pleurospermum amabile. Nat Prod Commun. 2013; 8(9):1934578X1300800930. https://doi.org/10.1177/1934578X1300800930
Aziz M, Ahmad S, Iqbal MN, Khurshid U, Saleem H, Alamri A, Anwar S, Alamri AS, Chohan TA. Phytochemical, pharmacological, and In-silico molecular docking studies of Strobilanthes glutinosus Nees: An unexplored source of bioactive compounds. S Afr J Bot. 2022; 147:618-27. https://doi.org/10.1016/j.sajb.2021.07.013
Aati HY, Anwar M, Al-Qahtani J, Al-Taweel A, Khan KU, Aati S, Usman F, Ghalloo BA, Asif HM, Shirazi JH, Abbasi A. Phytochemical profiling, In vitro biological activities, and in silico studies of FicusvastaForssk.: An unexplored plant. Antibiotics. 2022; 11(9):1155. https://doi.org/10.3390/antibiotics11091155 PMid:36139935 PMCid:PMC9495161
Urrego D, Tomczak AP, Zahed F, Stühmer W, Pardo LA. Potassium channels in cell cycle and cell proliferation. Philos Trans of the Royal Society B: Bio Sci. 2014; 369(1638):20130094. https://doi.org/10.1098/rstb.2013.0094 PMid:24493742 PMCid:PMC3917348
Kamili C, Kakataparthy RS, Vattikutti UM, Chidrawar V, Ammineni S. Antiproliferative and anti-angiogenic activities of ion-channel modulators: In ovo, in vitro and in vivo study. Asian Pac. J Trop Biomed. 2017; 7(6):555-62. https://doi.org/10.1016/j.apjtb.2017.05.005
0.35
24
0.161