Author(s): S. A. Khedkar, J. S. Patil, P. M. Sabale

Email(s): Email ID Not Available

DOI: 10.52711/0974-360X.2021.00945   

Address: S. A. Khedkar1, J. S. Patil2, P. M. Sabale3
1Department of Pharmaceutical Chemistry, JNT University, Kakinada, Andhra Pradesh, India.
2Shivajirao Jondhale College of Pharmacy, Asangaon, Maharashtra, India.
3Rashtrasant Tukadoji Maharaj University, Nagpur, Maharashtra, India.
*Corresponding Author

Published In:   Volume - 14,      Issue - 10,     Year - 2021

Drug design and development is an interactive process includes process like molecular docking which involves virtual analysis of the derivatives against the protein targets. COXS are the groups of enzymes which plays vital role in the human process. COX II is important enzyme involved in the inflammation and can act as potential target for development of the potent anti-inflammatory agents. Pyrimidine is one of the most utilized heterocyclic scaffolds for the development of therapeutic agents due to its role in the nucleic acid and proteins in the human body. The present communication deals with docking analysis of virtually designed 58 condensed pyrimidine derivatives as potential anti-inflammatory agents. The derivatives were designed and virtually screened via molecular docking against the COX-II crystal structure to identically the potential leads.

Cite this article:
S. A. Khedkar, J. S. Patil, P. M. Sabale. Virtual Analysis of Condensed Pyrimidine Derivatives as COX II Inhibitors Potential Anti-inflammatory Agents. Research Journal of Pharmacy and Technology 2021; 14(10):5423-6. doi: 10.52711/0974-360X.2021.00945

S. A. Khedkar, J. S. Patil, P. M. Sabale. Virtual Analysis of Condensed Pyrimidine Derivatives as COX II Inhibitors Potential Anti-inflammatory Agents. Research Journal of Pharmacy and Technology 2021; 14(10):5423-6. doi: 10.52711/0974-360X.2021.00945   Available on:

1.    Hayat, F., Salahuddin, A. and Azam, A. Synthesis, characterization, antiamoebic activity and cytotoxicity of new pyrazolo[3, 4- d]pyrimidine-6-one derivatives. Journal of Enzyme Inhibition and Medicinal Chemistry. 2011; 26(4): 472–479.
2.    Prajapti S. K., Nagarsenkar A., Guggilapu S. D., Gupta K.K., Allakonda L., Jeengar M.K., Naidu V.G.and Babu B.N. Synthesis and biological evaluation of oxindole linked indolyl-pyrimidine derivatives as potential cytotoxic agents. Bioorganic and Medicinal Chemistry Letters. 2016; 26: 3024-3028.
3.    Liu Z., Wang Y., Lin H., Zuo D., Wang L., Zhao Y. and Gong P. Design, synthesis and biological evaluation of novel thieno[3,2-d]pyrimidine derivatives containing diaryl urea moiety as potent antitumor agents.European Journal of Medicinal Chemistry. 2014; 28: 215-227.
4.    Rashad A. E., Mahmoud A. E. and Ali M. M. Synthesis and anticancer effects of some novel pyrazolo[3,4-d]pyrimidine derivatives by generating reactive oxygen species in human breast adenocarcinoma cells. European Journal of Medicinal Chemistry. 2011; 46: 1019-1026.
5.    Ismail S. M., Ali G. M., Ibrahim D.A. and Elmetwali A. M. Medicinal attributes of pyrazolo[1,5-a]pyrimidine based scaffold derivatives targeting kinases as anticancer agents. Future Journal of Pharmaceutical Sciences. 2016; 2(2): 60-70.
6.    Eissa I.H., El-Naggar A.M. and El-Hashash M.A. Design, synthesis, molecular modelling and biological evaluation of novel 1H-pyrazolo[3,4-b]pyridine derivatives as potential anticancer agents. Bioorganic Chemistry. 2016; 67: 43–56.
7.    Shahidpour S., Panahi F., Yousefi R., Nourisefat M., Nabipoor M. and Khalafi-Nezhad A. Design and synthesis of new antidiabetic α-glucosidase and α-amylase inhibitors based on pyrimidine-fused heterocycles. Medicinal Chemistry Research. 2015; 24(7): 3086-3096.
8.    Bhosle M.R., Deshmukh A.R., Pal S., Srivastava A. K. and Mane R.A. Synthesis of new thiazolylmethoxyphenylpyrimidines and antihyperglycemic evaluation of the pyrimidines, analogues isoxazolines and pyrazolines. Bioorganic and Medicinal Chemistry Letters. 2015; 25: 2442–2446.
9.    Somakala K., Tariq S. and Amir M. Synthesis, evaluation and docking of novel pyrazolopyrimidines as potent 38α MAP kinase inhibitors with improved anti-inflammatory, ulcerogenic and TNF-α inhibitory properties. Bioorganic Chemistry. 2019; 87: 550-559.
10.    Tageldin G.N., Fahmy S.M., Ashour H.M., Khalil M.A., Nassra R.A. and Labouta I.M. Design, synthesis and evaluation of some pyrazolo[3,4-d]pyrimidines as anti-inflammatory agents. Bioorganic Chemistry. 2018; 78: 358-371.
11.    Tageldin G.N., Fahmy S.M., Ashour H.M., Khalil M.A., Nassra R.A. and Labouta I.M. Design, synthesis and evaluation of some Pyrazolo[3,4-d]pyrimidine derivatives bearing Thiazolidinone moiety as anti-inflammatory agents. Bioorganic Chemistry. 2018; 80:164-173.
12.    Hayam M. A., Omaima G. S., Ola H. R. and Ibrahim M. E. Synthesis and biological evaluation of thieno [2',3':4,5]pyrimido[1,2-b][1,2,4]triazines and thieno[2,3-d][1,2,4]triazolo[1,5-a]pyrimidines as anti-inflammatory and analgesic agents. European Journal of Medicinal Chemistry. 2013; 62: 341-351.
13.    Abdel Moty S., Hussein M.A., Abdel Aziz S.A. and Abou-Salim M.A. Design and synthesis of some substituted thiazolo[3,2-a]pyrimidine derivatives of potential biological activities. Saudi Pharmaceutical Journal. 2016; 24(2): 119-132.
14.    Ugwu D.I., Okoro U.C. and Mishra N.K. Synthesis, characterization and anthelmintic activity evaluation of pyrimidine derivatives bearing carboxamide and sulphonamide moieties. J. Serb. Chem. Soc. 2018; 83: 1–9.
15.    Nadigar R. M., Swamy S., Karikere E. M., Tadimety M. C., Boreddy S. T. and Parameshwar A. S. Synthesis, antibacterial, anthelmintic and anti-inflammatory studies of novel Methylpyrimidinesulfonyl piperazine derivatives. J. Braz. Chem. Soc. 2014; 25(6): S1-S15.
16.    Shruthi N., Boja P., Vasantha K., Bhat M., Joshi H.and Revanasiddappa B.C. Synthesis, molecular properties and evaluation of anthelmintic activity. Journal of Chemical and Pharmaceutical Research. 2015; 7(6):181-191.
17.    Sahoo B.M., Mullangi R., Panda J. and Sahoo B. Green Expedient Synthesis of pyrimidine derivatives via chalcones and evaluation of their anthelmintic activity. Indian Journal of Pharmaceutical Education and Research. 2017; 51: S700-S706.
18.    Partridge F.A., Forman R., Willis N.J., Bataille C.J., Murphy E.A., Brown A.E., , Heyer-Chauhan N., Marinic B., Sowood D.J., Wynne G.M., Else K.J., Russell A.J. and Sattelle D.B. 2,4-Diaminothieno[3,2-d]pyrimidines, a new class of anthelmintic with activity against adult and egg stages of whipworm. PLOS Neglected Tropical Diseases. 2018; 11: 1- 24.
19.    Maddila S.;Gorle S., Seshadri N., Lavanya P. and Jonnalagadda S.B. Synthesis, antibacterial and antifungal activity of novel benzothiazole pyrimidine derivatives. Arabian Journal of Chemistry. 2016;  9(5): 681-687.
20.    Mallikarjunaswamy C.; Mallesha L.; Bhadregowda D.G.; Pinto O. Studies on synthesis of pyrimidine derivatives and their antimicrobial activity. Arabian Journal of Chemistry, 2017, 10 (1), S484-S490.
21.    Dişli A., Mercan S. and Yavuz J.S. Synthesis and antimicrobial activity of new pyrimidine derivatives incorporating 1H‐Tetrazol‐5‐ylthio moiety. Heterocyclic Chem. 2013; 50: 1446-1450.
22.    Wang S.C., Wan F., Shuai Zhang S.L. and Jiang L. Synthesis and antifungal activity evaluation of novel substituted Pyrimidine5-carboxamides bearing the pyridine moiety. J. Chin. Chem. 2018; 65: 1-7.
23.    Youssef M.M. and Amin M.A. Microwave assisted synthesis of some new Thiazolopyrimidine, Thiazolodipyrimidine and Thiazolopyrimidothiazolopyrimidine derivatives with potential antioxidant and antimicrobial activity. Molecules. 2012; 17: 9652-9667.
24.    Reddy Sura M., Reddy Peddiahgari V.G., Reddy Bhoomireddy R.P. and Vadde R.K. Synthesis of new 2,4-Diaryl-6-methyl-5-nitropyrimidines as antibacterial and antioxidant agents. J. Heterocyclic Chem. 2013; 50: 1395-1395.
25.    S. Singh, P. K. Sharma, R. Dudhe, N. Kumar. Synthesis of Pyrazolopyrimidine Derivatives and Their Antibacterial Activity. Asian J. Research Chem. 4(10): 2011; Page 1594-1599.
26.    Rashmi P., Laxmivenkatesh G. Nargund, Kuntal Hazra. Synthesis, spectral studies and evaluation of 4-(5-substituted- [1,3,4] oxadiazol-2-ylmethoxy)-thieno[2,3-d]pyrimidines as novel antimicrobials. Asian J. Research Chem. 6(4): 2013; Page 354-359.
27.    Pavlo V. Zadorozhnii, Vadym V. Kiselev, Nataliia O. Teslenko, Aleksandr V. Kharchenko, Ihor O. Pokotylo, Oxana V. Okhtina, Oxana V. Kryshchyk. In Silico Prediction and Molecular Docking Studies of N-Amidoalkylated Derivatives of 1,3,4-Oxadiazole as COX-1 and COX-2 Potential Inhibitors. Research J. Pharm. and Tech. 2017; 10(11): 3957-3963.
28.    B. Ramesh, R.N. Umashankar, S. Babitha. Synthesis and Anti-inflammatory Activity of Some New 2-Amino – 4, 6, Diaryl Pyrimidines. Asian J. Research Chem. 3(1): Jan.-Mar. 2010; Page 29-30.
29.    Bhalgat C.M. and B. Ramesh. Synthesis and Antifungal Screening of Novel Pyrimidine-carbonitriles. Asian J. Research Chem. 7(11): 2014; Page 905-908.
30.    M. Sathish Kumar and M. Vijey Aanandhi. An Insight into the Therapeutic Potential of Pyridopyrimidines as Anticancer Agents. Research J. Pharm. and Tech. 2018; 11(3): 1259-1269.
31.    K. Hemalatha, Joseph Selvin, K. Girija. Synthesis, In silico Molecular Docking Study and Anti-bacterial Evaluation of some Novel 4-Anilino Quinazolines. Asian J. Pharm. Res. 2018; 8(3): 125-132.
32.    Debarshi Kar Mahapatra, Ruchi S. Shivhare, Pranesh Kumar. Murrayanine-Chalcone Transformed into Novel Pyrimidine Compounds Demonstrated promising Anti-Inflammatory Activity. Asian J. Pharm. Res. 2018; 8(1): 06-10.
33.    Sarfraz Alam, Garima Avasthi . Synthesis and In Vitro Antibacterial Evaluations of Novel Amino-Pyrimidines. Asian J. Research Chem. 3(2): April- June 2010; Page 430-433.
34.    Sharma Bindiya, Jain Anamika, Sharma Dipak, Dubey Arti. Microwave Assisted Improved Synthesis of Some Novel Heterofused Pyrazolopyrimidines Derivatives and Their Antimicrobial Activity. Asian J. Research Chem. 4(10): Oct., 2011; Page 1616-1620.
35.    Kawade V.S., Kumbhar S.S., Choudhari P. B. and M. S. Bhatia. 3D QSAR and Pharmacophore Modelling of some Pyrimidine Analogs as CDK4 Inhibitors. Asian J. Research Chem 8(4): 2015; Page 231-235.
37.    Wang, J.L., Limburg, D., Graneto, M.J., Springer, J., Hamper, J.R., Liao, S., Pawlitz, J.L., Kurumbail, R.G., Maziasz, T., Talley, J.J., Kiefer, J.R. and Carter, J. The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg Med Chem. Lett. 2010; 20: 7159-7163.

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