E-ISSN 2577-5669
 

Original Research 


Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds

Reedwan Bin Jafar Auniq, Md. Nazim Uddin Chy , Md. Adnan, Ajoy Roy, Mohammad Ashraful Islam, Tourna Nahrin Khan, Md. Zahid Hasan, Suhel Ahmed, Mohammad Forhad Khan, Nazmul Islam, Muhammad Ismail Khan, Md. Alamgir Hossain, Md. Alamgir Kabir, Md Tareque Hassan Mukut, Sabrina Islam.

Abstract
Background: Vitex peduncularis (Verbenaceae), popularly known as ‘Boruna’, ‘Goda’, ‘Ashmul gaas’ (Chakma), ‘Korobaong’ (Marma), is frequently used in the traditional medicine for the treatment of chest pain, joint ache, malarial fevers, diabetes, jaundice, urethritis, and abnormality in eyes and face.
Objective: To validate the traditional use, this study was designed to investigate the anti-nociceptive (in vivo) and anthelmintic (in vitro) activity of ethanol extract of V. peduncularis leaves (EEVP). Moreover, computational studies viz. in silico molecular docking, ADME/T, and PASS predictions study were performed to ascertain the association of isolated compounds for the anti-nociceptive and anthelmintic activity as well as their good oral bioavailability and safety traits.
Methods: Quantitative phytochemical study of EEVP was carried out by established methods. The anti-nociceptive activity was determined using acetic acid induced writhing and formalin induced paw licking test in mice at the doses of 200 and 400 mg/kg, body weight, whereas an aquarium worm, Tubifex tubifex was used to determine the anthelmintic activity. In silico Molecular docking study was performed using Schrödinger Maestro 10.1 whereas the SwissADME, admetSAR, and PASS online tools were used for ADME, toxicological property, and biological activity predictions respectively.
Results: Our quantitative phytochemical study of EEVP revealed the occurrence of a substantial amount of phenolics (121.67 mg), flavonoids (97.78 mg), flavonols (39.88 mg), and condensed tannins (63.49 mg). EEVP exhibited significant and dose-dependent anti-nociceptive activity in both experimental pain models. Besides, EEVP has manifested strong anthelmintic property compared to reference standard drug levamisole. Molecular docking study showed that 3,4-dihydroxybenzoic acid, 4-hydroxybenzoic acid, vitexin, corosolic acid, vitexilactone, and tormentic acid have the best binding affinities towards the respective enzymes (COX-1, COX-2, and tubulin). PASS study also predicted the anti-nociceptive and anthelmintic activity of all isolated compounds. Additionally, ADME/T study exhibited that all the compounds are safe and orally bioavailable from the druggable point of view.
Conclusion:
The outcomes of our scientific investigation (in vivo, in vitro, and computational studies) significantly support the ethno-medicinal use of this plant, which might be a utilized as an alternative source for the potential drug discovery.

Key words: antinociceptive; anthelmintic; ADME/T study; molecular docking; PASS prediction; Vitex peduncularis


 
ARTICLE TOOLS
Abstract
PDF Fulltext
Print this article Print this Article
How to cite this articleHow to cite this article
Citation Tools
Related Records
 Articles by Reedwan Bin Jafar Auniq
Articles by Md. Nazim Uddin Chy
Articles by Md. Adnan
Articles by Ajoy Roy
Articles by Mohammad Ashraful Islam
Articles by Tourna Nahrin Khan
Articles by Md. Zahid Hasan
Articles by Suhel Ahmed
Articles by Mohammad Forhad Khan
Articles by Nazmul Islam
Articles by Muhammad Ismail Khan
Articles by Md. Alamgir Hossain
Articles by Md. Alamgir Kabir
Articles by Md Tareque Hassan Mukut
Articles by Sabrina Islam
on Google
on Google Scholar
Article Statistics
 Viewed: 929
Downloaded: 55
Cited: 0


How to Cite this Article
Pubmed Style

Auniq RBJ, MNUC, Adnan M, Roy A, Islam MA, Khan TN, Hasan MZ, Ahmed S, Khan MF, Islam N, Khan MI, Hossain MA, Kabir MA, Mukut MTH, Islam S, . Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. J Complement Med Res. 2019; 10(4): 170-185. doi:10.5455/jcmr.20190805024523


Web Style

Auniq RBJ, MNUC, Adnan M, Roy A, Islam MA, Khan TN, Hasan MZ, Ahmed S, Khan MF, Islam N, Khan MI, Hossain MA, Kabir MA, Mukut MTH, Islam S, . Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. http://www.jocmr.com/?mno=60200 [Access: December 09, 2019]. doi:10.5455/jcmr.20190805024523


AMA (American Medical Association) Style

Auniq RBJ, MNUC, Adnan M, Roy A, Islam MA, Khan TN, Hasan MZ, Ahmed S, Khan MF, Islam N, Khan MI, Hossain MA, Kabir MA, Mukut MTH, Islam S, . Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. J Complement Med Res. 2019; 10(4): 170-185. doi:10.5455/jcmr.20190805024523



Vancouver/ICMJE Style

Auniq RBJ, MNUC, Adnan M, Roy A, Islam MA, Khan TN, Hasan MZ, Ahmed S, Khan MF, Islam N, Khan MI, Hossain MA, Kabir MA, Mukut MTH, Islam S, . Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. J Complement Med Res. (2019), [cited December 09, 2019]; 10(4): 170-185. doi:10.5455/jcmr.20190805024523



Harvard Style

Auniq, R. B. J., , M. N. U. C., Adnan, M., Roy, A., Islam, M. A., Khan, T. N., Hasan, M. Z., Ahmed, S., Khan, M. F., Islam, N., Khan, M. I., Hossain, M. A., Kabir, M. A., Mukut, M. T. H., Islam, S. & (2019) Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. J Complement Med Res, 10 (4), 170-185. doi:10.5455/jcmr.20190805024523



Turabian Style

Auniq, Reedwan Bin Jafar, Md. Nazim Uddin Chy, Md. Adnan, Ajoy Roy, Mohammad Ashraful Islam, Tourna Nahrin Khan, Md. Zahid Hasan, Suhel Ahmed, Mohammad Forhad Khan, Nazmul Islam, Muhammad Ismail Khan, Md. Alamgir Hossain, Md. Alamgir Kabir, Md Tareque Hassan Mukut, Sabrina Islam, and . 2019. Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. Journal of Complementary Medicine Research, 10 (4), 170-185. doi:10.5455/jcmr.20190805024523



Chicago Style

Auniq, Reedwan Bin Jafar, Md. Nazim Uddin Chy, Md. Adnan, Ajoy Roy, Mohammad Ashraful Islam, Tourna Nahrin Khan, Md. Zahid Hasan, Suhel Ahmed, Mohammad Forhad Khan, Nazmul Islam, Muhammad Ismail Khan, Md. Alamgir Hossain, Md. Alamgir Kabir, Md Tareque Hassan Mukut, Sabrina Islam, and . "Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds." Journal of Complementary Medicine Research 10 (2019), 170-185. doi:10.5455/jcmr.20190805024523



MLA (The Modern Language Association) Style

Auniq, Reedwan Bin Jafar, Md. Nazim Uddin Chy, Md. Adnan, Ajoy Roy, Mohammad Ashraful Islam, Tourna Nahrin Khan, Md. Zahid Hasan, Suhel Ahmed, Mohammad Forhad Khan, Nazmul Islam, Muhammad Ismail Khan, Md. Alamgir Hossain, Md. Alamgir Kabir, Md Tareque Hassan Mukut, Sabrina Islam, and . "Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds." Journal of Complementary Medicine Research 10.4 (2019), 170-185. Print. doi:10.5455/jcmr.20190805024523



APA (American Psychological Association) Style

Auniq, R. B. J., , M. N. U. C., Adnan, M., Roy, A., Islam, M. A., Khan, T. N., Hasan, M. Z., Ahmed, S., Khan, M. F., Islam, N., Khan, M. I., Hossain, M. A., Kabir, M. A., Mukut, M. T. H., Islam, S. & (2019) Assessment of anti-nociceptive and anthelmintic activities of Vitex Peduncularis Wall. leaves and in silico molecular docking, ADME/T, and PASS prediction studies of its isolated compounds. Journal of Complementary Medicine Research, 10 (4), 170-185. doi:10.5455/jcmr.20190805024523





Most Viewed Articles
  • Role of Cyperus rotundus oil in decreasing hair growth
    GHADA FAROUK ABD EL-KAREAM
    J Intercult Ethnopharmacol. 2012; 1(2): 111-118
    » Abstract & References » doi: 10.5455/jice.20120626100304

  • Ethno-dentistry: popular medicinal plants used for dental diseases in India
    Amit Bhardwaj, Shalu Verma Bhardwaj
    J Intercult Ethnopharmacol. 2012; 1(1): 62-65
    » Abstract & References » doi: 10.5455/jice.20120322035152

  • Total phenolic, flavonoids and tannin contents in different extracts of Artemisia absinthium
    Rajeev Singh, Pawan Kumar Verma, Gagandeep Singh
    J Intercult Ethnopharmacol. 2012; 1(2): 101-104
    » Abstract & References » doi: 10.5455/jice.20120525014326

  • Antimicrobial and phytochemical evaluation of the leaf, stem bark and root extracts of Cyathula prostrata (L) Blume against some human pathogens
    Gideon Ikechukwu Ogu, Williams Omotola Tanimowo, Perpetua Ugonna Nwachukwu, Bright Esegbuyota Igere
    J Intercult Ethnopharmacol. 2012; 1(1): 35-43
    » Abstract & References » doi: 10.5455/jice.20120407085952

  • Herbal Antibacterials: A Review
    Chirag Modi, Shailesh Mody, Hitesh Patel, Ghanshyam Dudhatra, Avinash Kumar, Madhavi Awale
    J Intercult Ethnopharmacol. 2012; 1(1): 52-61
    » Abstract & References » doi: 10.5455/jice.20120207113423

  • Preliminary phytochemical screening and evaluation of antibacterial activity of Dichrocepala integrifolia (L.f) O. kuntze
    Tesfaye Mohammed, Chalachew Teshale
    J Intercult Ethnopharmacol. 2012; 1(1): 30-34
    » Abstract & References » doi: 10.5455/jice.20120401054654

  • Medicinal plants with potential anti-arthritic activity:
    Manjusha Choudhary, Vipin Kumar, Hitesh Malhotra, Surender Singh
    J Intercult Ethnopharmacol. 2015; 4(2): 147-179
    » Abstract & References » doi: 10.5455/jice.20150313021918

  • Phytochemical and antibacterial activity of the extracts of Fagara zanthoxyloides on selected cariogenic and enteric bacterial isolates
    Martins Ajibade Adefisoye, Kwashie AjibadeAko-Nai, Mary Adejumoke Bisi-Johnson
    J Intercult Ethnopharmacol. 2012; 1(1): 1-6
    » Abstract & References » doi: 10.5455/jice.55-1333123486

  • Effect of Momordica charantia (bitter melon) on serum glucose level and various protein parameters in acetaminophen intoxicated rabbits
    Kanwal Zahra, Muhammad Imran Sohail, Muhammad Anwar Malik
    J Intercult Ethnopharmacol. 2012; 1(1): 7-12
    » Abstract & References » doi: 10.5455/jice.20120403013109

  • Study of antinociceptive and anti-inflammatory activities of certain Iranian medicinal plants
    Fariba Sharififar, Payam Khazaeli, Narguess Alli, Elham Talebian, Raheleh Zarehshahi, Shivasadat Amiri
    J Intercult Ethnopharmacol. 2012; 1(1): 19-24
    » Abstract & References » doi: 10.5455/jice.20120227104636

  • Most Downloaded
  • Medicinal plants with potential anti-arthritic activity:
    Manjusha Choudhary, Vipin Kumar, Hitesh Malhotra, Surender Singh
    J Intercult Ethnopharmacol. 2015; 4(2): 147-179
    » Abstract & References » doi: 10.5455/jice.20150313021918

  • Total phenolic, flavonoids and tannin contents in different extracts of Artemisia absinthium
    Rajeev Singh, Pawan Kumar Verma, Gagandeep Singh
    J Intercult Ethnopharmacol. 2012; 1(2): 101-104
    » Abstract & References » doi: 10.5455/jice.20120525014326

  • Herbal Antibacterials: A Review
    Chirag Modi, Shailesh Mody, Hitesh Patel, Ghanshyam Dudhatra, Avinash Kumar, Madhavi Awale
    J Intercult Ethnopharmacol. 2012; 1(1): 52-61
    » Abstract & References » doi: 10.5455/jice.20120207113423

  • Antimicrobial and phytochemical evaluation of the leaf, stem bark and root extracts of Cyathula prostrata (L) Blume against some human pathogens
    Gideon Ikechukwu Ogu, Williams Omotola Tanimowo, Perpetua Ugonna Nwachukwu, Bright Esegbuyota Igere
    J Intercult Ethnopharmacol. 2012; 1(1): 35-43
    » Abstract & References » doi: 10.5455/jice.20120407085952

  • Role of Cyperus rotundus oil in decreasing hair growth
    GHADA FAROUK ABD EL-KAREAM
    J Intercult Ethnopharmacol. 2012; 1(2): 111-118
    » Abstract & References » doi: 10.5455/jice.20120626100304

  • Ethnobotanical Documentation of Traditional Knowledge about Medicinal Plants used by Indigenous People in Talash Valley of Dir Lower, Northern Pakistan
    Muhammad Tariq Khan, Latif Ahmad, Wajid Rashid
    J Intercult Ethnopharmacol. 2018; 7(1): 8-24
    » Abstract » doi: 10.5455/jice.20171011075112

  • Use of Aqueous Extract of Corn Silk in the Treatment of Urinary Tract Infection
    Ahmed Salih Sahib, Imad Hashim Mohammed, Saba Jasim Hamdan
    J Intercult Ethnopharmacol. 2012; 1(2): 93-96
    » Abstract & References » doi: 10.5455/jice.20120525123150

  • Ethno-dentistry: popular medicinal plants used for dental diseases in India
    Amit Bhardwaj, Shalu Verma Bhardwaj
    J Intercult Ethnopharmacol. 2012; 1(1): 62-65
    » Abstract & References » doi: 10.5455/jice.20120322035152

  • A review on ethnopharmacological potential of Aloe vera L.
    Md. Shamim Hossain, A.N.M Mamun-Or-Rashid, Nayeem Md. Towfique, Monokesh Kumer Sen
    J Intercult Ethnopharmacol. 2013; 2(2): 113-120
    » Abstract & References » doi: 10.5455/jice.20130612035300

  • Phytochemical and antibacterial activity of the extracts of Fagara zanthoxyloides on selected cariogenic and enteric bacterial isolates
    Martins Ajibade Adefisoye, Kwashie AjibadeAko-Nai, Mary Adejumoke Bisi-Johnson
    J Intercult Ethnopharmacol. 2012; 1(1): 1-6
    » Abstract & References » doi: 10.5455/jice.55-1333123486

  • Most Cited Articles
  • Total phenolic, flavonoids and tannin contents in different extracts of Artemisia absinthium
    Rajeev Singh, Pawan Kumar Verma, Gagandeep Singh
    J Intercult Ethnopharmacol. 2012; 1(2): 101-104
    » Abstract & References » doi: 10.5455/jice.20120525014326
    Cited : 39 times [Click to see citing articles]

  • Potential antimalarials from African natural products: a review
    Bashir Lawal, Oluwatosin Kudirat Shittu, Adamu Yusuf Kabiru, Ali Audu Jigam, Maimuna Bello Umar, Eustace Bonghan Berinyuy, Blessing Uchenna Alozieuwa
    J Intercult Ethnopharmacol. 2015; 4(4): 318-343
    » Abstract & References » doi: 10.5455/jice.20150928102856
    Cited : 19 times [Click to see citing articles]

  • Guava leaves polyphenolics-rich extract inhibits vital enzymes implicated in gout and hypertension in vitro
    Emmanuel Anyachukwu Irondi, Samson Olalekan Agboola, Ganiyu Oboh, Aline Augusti Boligon, Margareth Linde Athayde, Francis O. Shode
    J Intercult Ethnopharmacol. 2016; 5(2): 122-130
    » Abstract & References » doi: 10.5455/jice.20160321115402
    Cited : 19 times [Click to see citing articles]

  • Some pharmacological effects of cinnamon and ginger herbs in obese diabetic rats
    Mostafa Abbas Shalaby, Hamed Yahya Saifan
    J Intercult Ethnopharmacol. 2014; 3(4): 144-149
    » Abstract & References » doi: 10.5455/jice.20140818050741
    Cited : 16 times [Click to see citing articles]

  • Herbal medicine use among Turkish patients with chronic diseases
    Münevver Tulunay, Cenk Aypak, Hülya Yýkýlkan, Süleyman Görpelioðlu
    J Intercult Ethnopharmacol. 2015; 4(3): 217-220
    » Abstract & References » doi: 10.5455/jice.20150623090040
    Cited : 15 times [Click to see citing articles]

  • Medicinal plants with potential anti-arthritic activity:
    Manjusha Choudhary, Vipin Kumar, Hitesh Malhotra, Surender Singh
    J Intercult Ethnopharmacol. 2015; 4(2): 147-179
    » Abstract & References » doi: 10.5455/jice.20150313021918
    Cited : 14 times [Click to see citing articles]

  • Biological synthesis of silver nanoparticles from Adansonia digitata L. fruit pulp extract, characterization, and its antimicrobial properties
    Chennareddy Maruthi Kesava Kumar, Pulicherla Yugandhar, Nataru Savithramma
    J Intercult Ethnopharmacol. 2016; 5(1): 79-85
    » Abstract & References » doi: 10.5455/jice.20160124113632
    Cited : 14 times [Click to see citing articles]

  • Antimicrobial and phytochemical evaluation of the leaf, stem bark and root extracts of Cyathula prostrata (L) Blume against some human pathogens
    Gideon Ikechukwu Ogu, Williams Omotola Tanimowo, Perpetua Ugonna Nwachukwu, Bright Esegbuyota Igere
    J Intercult Ethnopharmacol. 2012; 1(1): 35-43
    » Abstract & References » doi: 10.5455/jice.20120407085952
    Cited : 13 times [Click to see citing articles]

  • Cytotoxicity enhancement in MDA-MB-231 cells by the combination treatment of tetrahydropalmatine and berberine derived from Corydalis yanhusuo W. T. Wang
    Yan Zhao, Jian-Li GAO, Jian-Wei Ji, Min Gao, Qiao-Shan Yin, Qiao-Li Qiu, Chuan Wang, Shu-Zhan Chen, Juan Xu, Ren-Shang Liang, Yan-Zi Cai, Xia-Fei Wang
    J Intercult Ethnopharmacol. 2014; 3(2): 68-72
    » Abstract & References » doi: 10.5455/jice.20140123040224
    Cited : 13 times [Click to see citing articles]

  • Analgesic, Anti-inflammatory and Antihyperlipidemic Activities of Commiphora molmol Extract (Myrrh)
    Mostafa Abbas Shalaby, Ashraf Abd-Elkhalik Hammouda
    J Intercult Ethnopharmacol. 2014; 3(2): 56-62
    » Abstract & References » doi: 10.5455/jice.20140130015014
    Cited : 13 times [Click to see citing articles]