Author(s): N. Habeela Jainab, , M. K. Mohan Maruga Raja

Email(s): habi.asheesh@gmail.com

DOI: 10.5958/0974-360X.2018.00300.1   

Address: N. Habeela Jainab1,2*, M. K. Mohan Maruga Raja1
1Pharmacy Department, Centre for Research and Development, PRIST University, Vallam, Thanjavur – 613403, Tamil Nadu, India.
2Department of Pharmaceutical Chemistry, Hillside College of Pharmacy and Research Centre, Raghuvanahalli, Bengaluru-560062, Karnataka, India.
*Corresponding Author

Published In:   Volume - 11,      Issue - 4,     Year - 2018


ABSTRACT:
Despite considerable efforts, cancer still remains an aggressive killer worldwide. Indian Council of Medical Research reports that India is likely to have over 17.3 lakh new cases of cancer and over 8.8 lakh deaths due to the disease by 2020 with cancers of breast, lung and cervix topping the list. During the last decade, novel synthetic chemotherapeutic agents currently in use clinically have not succeeded in fulfilling expectations despite the considerable cost of their development. Natural products have received increasing attention over the past 30 years for their potential as novel cancer preventive and therapeutic agents. Plant extracts in future may provide more effective medicines than the synthetic drugs and this study helps to design and develop novel drug for breast cancer. Clerodendrum phlomidis is a shrub common in India and Sri Lanka with valuable medicinal properties. Molecular docking plays an important role in the rational drug designing and discovery. Main application of molecular docking lies in structure-based virtual screening for identification of new active compounds towards a particular target protein, in which it has produced a number of success stories. In present study, we aimed to investigate the chemotherapeutic potential of chemical constituents identified from the methanol extract of Clerodendrum phlomidis leaf with the motive of developing in silico protocol against breast cancer markers ErbB2 Receptor, BRCA1 Protein, Human cyclooxgenase-2, Human 5-lipoxygenase and 15-hydroxyprostaglandin dehydrogenase. In silico docking studies were carried out using Schrodinger software, based on the GLIDE. The results showed that most of the chemical constituents of Clerodendrum phlomidis binds with the enzyme of Human Cyclooxgenase-2 (PDB: 1V0X) and 15-hydroxyprostaglandin dehydrogenase (PDB: 2GDZ) effectively with the docking score using GLIDE varying between -3.93 Kcal/mol to -9.58 Kcal/mol and -3.63 Kcal/mol to -9.99 Kcal/mol respectively. Among the docked molecules compounds 3,6,7-trihydroxy-2-(3-methoxyphenyl)-4H-chromen-4-one, 1-(2,4,5-trihydroxyphenyl)-1-butanone, Isopropyl Linoleate and Ethyl linoleate was found to be more potent when compared to the other molecules.


Cite this article:
N. Habeela Jainab,, M. K. Mohan Maruga Raja. In Silico Molecular Docking Studies on the Chemical Constituents of Clerodendrum phlomidis for its Cytotoxic Potential against Breast Cancer Markers. Research J. Pharm. and Tech 2018; 11(4): 1612-1618. doi: 10.5958/0974-360X.2018.00300.1


Recomonded Articles:

Author(s): Niha Naveed, Karthikeyan Murthykumar, Subasree Soundarajan, Sripradha Srinivasan

DOI: Not Available         Access: Open Access Read More

Author(s): Abhirup Dey, Mangala Lakshmi Ragavan, Sanjeeb Kumar Mandal, Nilanjana Das

DOI: 10.5958/0974-360X.2017.00136.6         Access: Open Access Read More

Author(s): Vandana Gautam, Dhriti Kapoor, Saroj Arora, Renu Bhardwaj*

DOI: 10.5958/0974-360X.2016.00166.9         Access: Open Access Read More

Author(s): A. Julius, Ramachandran Vedasendiyar, Archana Devakannan, Sujatha Rajaraman, Balamurugan Rangasamy, V. Saravanan

DOI: 10.5958/0974-360X.2017.00062.2         Access: Open Access Read More

Author(s): Dhanalekshmi UnniKrishnan Nair, MP Saraswathy, Narra Kishore, Neelakanta Reddy Pully

DOI: Not Available         Access: Open Access Read More

Author(s): T. Arunkumar, Ann Feba Ebby, G. Narendrakumar

DOI: 10.5958/0974-360X.2017.00441.3         Access: Open Access Read More

Author(s): Krishnendu Acharya*, Somanjana Khatua, Salman Sahid

DOI: Not Available         Access: Open Access Read More

Author(s): Surendra Nath Pandeya, Rajeev Kumar, Arun Kumar, Ashish Kumar Pathak

DOI: Not Available         Access: Open Access Read More

Author(s): Shrivastava Alankar, Jain R., Agrawal R.K., Ahirwar D.

DOI:         Access: Open Access Read More

Author(s): Md Kamal Hossain, Kamrun Nahar, Parisa Shokryazdan, Norhani Abdullah, Kaiser Hamid, Mohammed Faseleh Jahromi

DOI: 10.5958/0974-360X.2017.00530.3         Access: Open Access Read More

Author(s): Aravind R., Bindu A.R., Bindu K., Alexeyena V.

DOI: Not Available         Access: Open Access Read More

Author(s): Manisha N. Trivedi, Archana Khemani, Urmila D. Vachhani, Charmi P. Shah, D.D. Santani

DOI: Not Available         Access: Open Access Read More

Author(s): Jitendra Patel, A. Venkateshwar Reddy, G.S. Kumar, D. Satyasai4 B. Bajari, V. Nagarjuna

DOI: 10.5958/0974-360X.2017.00232.3         Access: Open Access Read More

Author(s): S Hemalatha and M Jegadeesan

DOI: Not Available         Access: Closed Access Read More

Research Journal of Pharmacy and Technology (RJPT) is an international, peer-reviewed, multidisciplinary journal.... Read more >>>

RNI: CHHENG00387/33/1/2008-TC                     
DOI: 10.5958/0974-360X 

0.38
2018CiteScore
 
56th percentile
Powered by  Scopus


SCImago Journal & Country Rank


Recent Articles




Tags