Insilico pharmacological evaluation of dibenzosuberenone derivatives as antidepressant

  • Sathishkumar.A Department of Pharmaceutical Chemistry, Swamy VivekanandhaCollege of Pharmacy.
  • Umarani.G Department of Pharmaceutical Chemistry, College of Pharmacy,Madurai medical college.
  • Tamilarasi.G Department of Pharmaceutical Chemistry, College of Pharmacy,Madurai medical college.
  • Senthilkumar.R Department of Pharmaceutical Chemistry, Swamy VivekanandhaCollege of Pharmacy.
  • Mohanapriya.K Department of Pharmaceutical Chemistry, Swamy VivekanandhaCollege of Pharmacy.


A new drug takes a long time and is expensive to introduce.By using insilico drug design, you can save time and money. Utilizing computational software, a novel Schiff's base Dibenzosuberenone derivative was designed and molecular docking studies were performed using autodock software. To predict Absorption, Distribution, Metabolism, Excretion, and Molecular Properties of Dibenzosuberenone derivatives, insilico screening was performed. It should be examined how its Dibenzosuberenone derivatives interact with specific targets. The Dibenzosuberenone derivatives were successfully identified as targets in this study.

Keywords: Insilico drug design, Dibenzosuberenone, autodock software


Download data is not yet available.


1. Takashi Fujiwara, Steric structure–activity relationship of cyproheptadine derivatives as inhibitors of histone methyltransferase Set7/9. Bioorganic & Medicinal Chemistry 24(2016) 4318–4323.
2. Stana, A.New Thiazolyl-Triazole Schiff Bases: Synthesis and Evaluation of the Anti-Candida Potential. Molecules 2016, 21, 1–19.
3. Mahadev N. Kumbar,1 Ravindra R. Kamble, Design and Microwave Assisted Synthesis of Coumarin Derivatives as PDE Inhibitors International Journal of Medicinal Chemistry Volume 2016, Article ID 9890630, 16 pages.
4. Singh, A., Srinivasan, A.K., Chakrapani, L.N. and Kalaiselvi, P., 2019. LOX-1, the common therapeutic target in hypercholesterolemia: a new perspective of antiatherosclerotic action of aegeline. Oxidative medicine and cellular longevity, 2019.
5. Ter Laak AM, Van Drooge MJ, Timmerman H, Donné-Op den Kelder GM.QSAR andmolecular modelling studies on histamine H1-receptor antagonists. Quantitative structureactivity relationships (2008); 11 (3):348 – 363.
6. Yamamoto T, Niwa S, Iwayama S, Koganei H, Fujita S, Takeda T, et al.Discovery, structure-activity relationship study, and oral analgesic efficacy of cyproheptadinederivatives possessing N-type calcium channel inhibitoryactivity. Bioorg Med Chem. (2006);14(15):5334.
7. Honda M., Nishida T., Ono H. Tricyclic analogs cyclobenzaprine, amitriptyline andcyproheptadine inhibit the spinal reflex transmission through 5-HT2 receptors. Eur JPharmacol. (2003);458 (1-2):91-99.
8. Ke-Liang Guo, Design, Synthesis and Bioevaluation of Substituted Phenyl Isoxazole Analogs as Herbicide SafenersJournal of Agricultural and Food Chemistry, (2020).
9. Singh, A., Gowtham, S., Chakrapani, L.N., Ashokkumar, S., Kumar, S.K., Prema, V., Bhavani, R.D., Mohan, T. and Sathyamoorthy, Y.K., 2018. Aegeline vs Statin in the treatment of Hypercholesterolemia: A comprehensive study in rat model of liver steatosis. Functional Foods in Health and Disease, 8(1), pp.1-16.
10. Shah, J. Design, Synthesis and Evaluation of Benzotriazole Derivatives as Novel Antifungal Agents. Bioorg. Med. Chem. Lett. 2015, 25, 3730–3737.
11. Khedr, M. Design, Synthesis, and In Vitro Antifungal Screening of (Z)-Substituted-Propenoic Acid Derivatives with Potent Broad-Spectrum Antifungal Activity. Drug Des. Devel. Ther. 2015, 4501–4513.
12. Singh, A., Kumar, A. and Kalaiselvi, P., 2018. Aegeline, targets LOX1, the receptor for oxidized LDL to mitigate hypercholesterolemia: a new perspective in its anti-atherosclerotic action. Free Radical Biology and Medicine, 128, p.S41.
13. W. Hamaguchi, “Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition,” Bioorganicand Medicinal Chemistry, vol. 21, no. 24, pp. 7612–7623, 2013.
14. Arnott, J.The Influence of Lipophilicity in Drug Discovery and Design. Expert Opin. Drug Discov.2012, 7, 863–875.
15. Konatham Teja Kumar Reddy, & M. Akiful Haque. (2022). Develop and validate a highly sensitive method for the estimation of Molnupiravir in rat plasma by high-performance liquid chromatography-tandem mass spectroscopy and its application to pharmacokinetic studies. Journal of Pharmaceutical Negative Results, 28–34.
16. Konatham Teja Kumar Reddy, Penke Vijaya Babu, Rajinikanth Sagapola, & Peta Sudhakar. (2022). A REVIEW OF ARTIFICIAL INTELLIGENCE IN TREATMENT OF COVID-19. Journal of Pharmaceutical Negative Results, 254–264.
17. Sultan, M.A.; Almansour, A. Synthesis, theoretical studies and molecular docking of a novel chlorinated tetracyclic:(Z/E)-3-(1, 8-dichloro-9, 10-dihydro-9, 10-ethanoanthracen-11-yl) acrylaldehyde. J. Mol. Struct. 2017, 1150, 358–365.
18. Singh, A., 2022. Role of microbial metabolites in cardiovascular and human health. In Microbiome, Immunity, Digestive Health and Nutrition (pp. 137-148). Academic Press.
19. Morris, G. AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility. J. Comput. Chem. 2009, 30, 2785–2791.
20. Konatham Teja Kumar Reddy, Kumaraswamy Gandla, Penke Vijaya Babu, M Vinay Kumar Chakravarthy, Pavuluri Chandrasekhar, & Rajinikanth Sagapola. (2022). A CRITICAL REVIEW ON BIOANALYTICAL METHOD DEVELOPMENT AND VALIDATION OF FEW ONCOLOGY DRUGS BY USING LC-MS-MS. Journal of Pharmaceutical Negative Results, 16–27.
21. Reddy, K. T. K., & Haque, M. A. (2022). Bioanalytical method development and validation of atrasentan in human plasma using verapamil as internal standard by liquid chromatography coupled with tandem mass spectrometry. International Journal of Health Sciences, 6(S8), 625–638.
22. Singh, A., 2022. Hyperlipidemia in cardiovascular health and digestion. In Nutrition and Functional Foods in Boosting Digestion, Metabolism and Immune Health (pp. 141-150). Academic Press.
23. Mujeeb A. Sultan Synthesis, Molecular Docking, Drug likeness Analysis, and ADMET Prediction of the Chlorinated Ethanoanthracene Derivatives as Possible Antidepressant Agents. Appl. Sci. 2020, 10, 7727.
24. S. Vilar, E. Quezada, “Design, synthesis, and vasorelaxant and platelet antiaggregatory activities of coumarin–resveratrol hybrids,” Bioorganic and MedicinalChemistry Letters, vol. 16, no. 2, pp. 257–261, 2006.
25. Shiv Chandra Singh, A., Yu, A., Chang, B., Li, H., Rosenzweig, A. and Roh, J.D., 2021. Exercise Training Attenuates Activin Type II Receptor Signaling in the Aged Heart. Circulation, 144(Suppl_1), pp.A14259-A14259.
26. Paolo Grieco,Design and Microwave-Assisted Synthesis of Novel Macrocyclic Peptides Active at Melanocortin Receptors: Discovery of Potent and Selective hMC5R Receptor Antagonists J. Med. Chem. (2008), 51, 2701–2707.
27. Konatham Teja Kumar Reddy High Performance Liquid Chromatography for The Simultaneous Estimation of Anti-Ulcer Drugs in Pharmaceutical Dosage Form, journal of Positive School Psychology, Vol. 6, No. 9, 4524-452
28. Roh, J., Hill, J.A., Singh, A.,Valero-Muñoz, M. and Sam, F., 2022. Heart failure with preserved ejection fraction: heterogeneous syndrome, diverse preclinical models. Circulation Research, 130(12), pp.1906-1925.
29. Reddy KTK, Haque MA. Development and Validation of a High Throughput Lc-Ms/MS Method for Quantitation of Ipilimumab in Human Plasma. International Journal of Pharmaceutical Quality Assurance. 2022;13(3):303-307
30. Teja Kumar Reddy Konatham et al, A Systematic Review on Method Development and Validation of Few Antiviral Drugs by Using RP-HPLC. Ijppr.Human, 2021; Vol. 21 (3): 651-661.
31. W. Hamaguchi, “Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition,” Bioorganicand Medicinal Chemistry, vol. 21, no. 24, pp. 7612–7623, 2013.
32. Boini, K.M., singh, A. and Koka, S.S., 2021. Gut Microbial Metabolite Trimethylamine N-oxide Enhances Endoplasmic Reticular Stress and Promotes Endothelial Dysfunction. Circulation, 144(Suppl_1), pp.A14071-A14071.
33. Nayana Adhikari, Microwave assisted synthesis, docking and antimalarial evaluation of hybrid PABA-substituted 1,3,5-triazine derivatives, J.HeterocyclicChem. 2020; 1–
34. Teja Kumar Reddy Konatham, M. Anuradha (2020), a stability indicating method development and validation of Telmisartan and Nifedipine in pure form using RP-HPLC. International Journal of Pharmaceutical, Biological and Chemical Sciences, 9(3): 36-44
35. T. J. T. Josna, N. R. N. Rajesh, K. N. S. K. Naga Sindhura, K. H. R. K. Hema Ravali, N. U. J. N. Uma Jyothi, and V. N. G, “incidence and prevalence of various psychiatric disorders in psychiatric department of teaching based hospital ongole: a prospective observational study”, Int J Indig Herb Drug, pp. 11-24, Aug. 2020.
36. Teja Kumar Reddy Konatham, Satyanarayana Reddy K., Anuradha Manipogo, a Review on viruses that originated from china; Sars, mers and covid-19 World Journal of Pharmaceutical Research, Vol 9, Issue 5, 2020, 2010-2015.
37. Konda RK. Brief description of Clinical Case study formats: a basic review. Journal of Case Studies and Case Reports. 2022 Apr 30:24-6.
38. A. Bekhit and T. Abdel-Aziem, “Design, synthesis and biological evaluation of some pyrazole derivatives as antiinflammatory- antimicrobial agents,” Bioorganic and MedicinalChemistry, vol. 12, 2004 no. 8, pp. 1935–1945,.
39. Jiang, Y. Synthesis, In Vitro Evaluation and Molecular Docking Studies of New TriazoleDerivatives as Antifungal Agents. Bioorg. Med. Chem. Lett. 2011, 21, 4471–4475.
40. T. J. T. Josna, S. R. SK. Rizwana, and G. G.V.Nagaraju, “Case Study On Depression”, Int J Indig Herb Drug, pp. 1-3, Aug. 2019.
41. Konatham Teja Kumar Reddy and Kumaraswamy Gandla. Novel Vesicular Drug Delivery Systems Proniosomes. Pharm Res 2022, 6(3): 000272.
42. Gabriel Marc1, Anca Stana, 3,5-Disubstituted Thiazolidine-2,4-Diones:Design, Microwave-Assisted Synthesis, Antifungal Activity, and ADMET Screening, Society for Laboratory Automation and Screening. SLAS Discovery1–8 2018.
148 Views | 109 Downloads
How to Cite
A, S., U. G, T. G, S. R, and M. K. “Insilico Pharmacological Evaluation of Dibenzosuberenone Derivatives As Antidepressant”. World Journal of Current Medical and Pharmaceutical Research, Vol. 5, no. 2, Mar. 2023, pp. 25-29, doi:10.37022/wjcmpr.v5i2.257.
Research Articles