Author(s): Ramjith U.S., Shahin Muhammed

Email(s): ramjithganesh143@gmail.com

DOI: Not Available

Address: Ramjith U.S.1* and Shahin Muhammed2
1Department of Pharmaceutical Chemistry, Crescent College of Pharmaceutical Sciences, Madayipara, Payangadi (R.S), Kannur, Kerala -670358.
2Department of Pharmaceutical Chemistry, College of Pharmaceutical Sciences, Pariyaram, Kannur.
*Corresponding Author

Published In:   Volume - 6,      Issue - 6,     Year - 2013


ABSTRACT:
The molecular docking studies were performed on imidazo[2,1-b]-1,3,4thiadiazole derivatives using HVR protein. The compounds RUS-06, RUS-05, RUS-02, RUS-01, and RUS-07 were found to show best docking scores towards HVR protein (HIV protease receptor) indicating that these compounds may be screened for in vivo anti-HIV activity. The results showed that amongst the tested compounds with RUS-06 [dock score -117.41 and hydrogen bond energy -2.12 KJ] chloro (-Cl) substitution at 4th position of benzyl ring at 2nd position of imidazo[2,1-b]-1,3,4thiadiazole ring and nitro (-NO2) substitution on 4th position of the phenyl ring at 6th position of imidazo[2,1-b]-1,3,4thiadiazole ring was found to have the highest affinity for HVR protein. It is concluded that when R and R1 substituent’s are electron withdrawing groups(-Cl,-NO2) those compounds (RUS-06,RUS-05) were found to possess greater affinity for HVR protein compared to compounds (RUS-01,RUS-02) which contain R/R1 substituted with electron withdrawing groups(-NO2,Cl). The compounds (RUS-03, RUS-11, RUS-12) with R and R1 substituted with electron releasing groups (-CH3,-OCH3) were found to have least affinity for HVR protein. Further studies are required to establish their exact mechanism of action. Where, R= H, Cl, CH3; R1= Cl, NO2, CH3


Cite this article:
Ramjith U.S., Shahin Muhammed. Molecular Docking Study of Novel Imidazo[2,1-b]-1,3,4 thiadiazole derivatives. Research J. Pharm. and Tech 6(6): June 2013; Page 688-694.


Recomonded Articles:

Author(s): A. S. K. Sankar, B. Datchayani, N. Balakumaran, Mohammed Rilwan, R. Subaranjani

DOI: 10.5958/0974-360X.2017.00047.6         Access: Open Access Read More

Author(s): P.Maheshwari, D.Pavithra, Neethu.T.T, T.S. Shanmugarajan, P. Shanmugasundaram

DOI: 10.5958/0974-360X.2017.00011.7         Access: Open Access Read More

Author(s): R. Narayana Charyulu, P. Parvathy Devi, Jobin Jose, A. Veena Shetty

DOI: Not Available         Access: Open Access Read More

Author(s): S. Subasree, Karthikeyan Murthykumar, Dhanraj

DOI: 10.5958/0974-360X.2016.00116.5         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): Leelavathi D Acharya, N R Rau, N Udupa, Surulivel Rajan M, Vijayanarayana K

DOI: 10.5958/0974-360X.2016.00162.1         Access: Open Access Read More

Author(s): H. Firdus Fareen, M.S. Thenmozhi

DOI: 10.5958/0974-360X.2016.00146.3         Access: Open Access Read More

Author(s): P. Geetha, M. Kousalya, S. Geetha Lakshmi, R. Gopi.

DOI: 10.5958/0974-360X.2016.00046.9         Access: Open Access Read More

Author(s): M. Sumithra, Avantika Prabhabanik

DOI: 10.5958/0974-360X.2017.00036.1         Access: Open Access Read More

Author(s): Sonte Sushmitha, Sedimbi Revathi Priyanka, L. Mohan Krishna, M. Srinavasa Murthy

DOI: Not Available         Access: Open Access Read More

Author(s): Mistry Khushboo, Kavya Naik, Vasanthi, Alicia Menezes, Anup Naha, K.B. Koteshwara, K. Girish Pai

DOI: 10.5958/0974-360X.2017.00540.6         Access: Open 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