Docking Studies of Some Novel Hetrocyclic Compound as Acat Inhibitors: A Meta Analysis

Aneesa; Roshan Kumar; Purabi Saha; Keshamma E.; Parkavi Sachitanadam; Muthukumar Subramanian

doi:10.55544/jrasb.1.3.5

Authors

Dr. Aneesa Professor, Department of Pharmaceutical Chemistry, Malla Reddy College of Pharmacy, Affiliated to Osmania University, Hyderabad, INDIA.
Roshan Kumar Department of Pharmacology, Dev Bhoomi Institute of Pharmacy and Research, Dehradun-248007, Uttarakhand, INDIA.
Purabi Saha Department of Pharmacy, Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun-248007, Uttarakhand, INDIA.
Keshamma E. Associate Professor, Department of Biochemistry, Maharani Cluster University, Palace Road, Bangalore-560001, INDIA.
Parkavi Sachitanadam Project Fellow, Department of Microbiology, Faculty of Science, Annamalai University, Annamalai Nagar, Chidambaram, Tamilnadu - 608002, INDIA.
Dr. Muthukumar Subramanian Professor, Department of CSE, SRM Institute of Science & Technology, Tiruchirappalli Campus, (Deemed to be University), Trichy, Tamilnadu - 621105, INDIA.

DOI:

https://doi.org/10.55544/jrasb.1.3.5

Keywords:

Hyperlipidemia, Biological assay, quinoline, docking studies

Abstract

We use molecular modelling and pharmacological testing to identify TCM compounds that may suppress SQS activity. By utilising previously established SQS inhibitors, ten HipHop pharmacophore models were developed. Finally, we used active medicines to explore other potential anti-hyperlipidemia targets in HepG2 cells and establish whether or not the lipid-lowering effect was due to SQS inhibition. As a potential treatment for hyperlipidemia, this research seeks to identify TCM SQS inhibitors. The rings in a heterocyclic compound are each made up of atoms from a different chemical element. Pyridine, thiophene, pyrrole, and furan are the building blocks for quinoline, benzothiophene, indole, benzofuran, benzthiazole, benzimidazole, and benzoxazole, respectively.

Downloads

Download data is not yet available.

Metrics

Metrics Loading ...

References

Ewes W. A.; Elmorsy M. A.; El-Messery S. M.; Nasr M. N. A. Synthesis, biological evaluation and molecular modeling study of [1,2,4]-Triazolo[4,3-c] quinazolines: New class of EGFR-TK inhibitors. Bioorg. Med. Chem. 2020, 28, 115373. 10.1016/j.bmc.2020.115373.

Awuchi, C. G., Amagwula, I. O., Priya, P., Kumar, R., Yezdani, U., & Khan, M. G. (2020). Aflatoxins in foods and feeds: A review on health implications, detection, and control. Bull. Environ. Pharmacol. Life Sci, 9, 149-155.

Shafei A.; El-Bakly W.; Sobhy A.; Wagdy O.; Reda A.; Aboelenin O.; Marzouk A.; El Habak K.; Mostafa R.; Ali M. A.; Ellithy M. A review on the efficacy and toxicity of different doxorubicin nanoparticles for targeted therapy in metastatic breast cancer. Biomed. Pharmacother. 2017, 95, 1209–1218. 10.1016/j.biopha.2017.09.059.

Umama, Y., Venkatajah, G., Shourabh, R., Kumar, R., Verma, A., Kumar, A., & Gayoor, M. K. (2019). Topic-The scenario of pharmaceuticals and development of microwave as; sisted extraction technique. World J Pharm Pharm Sci, 8(7), 1260-1271.

Hassan G. S.; Georgey H. H.; Mohammed E. Z.; George R. F.; Mahmoud W. R.; Omar F. A. Mechanistic selectivity investigation and 2D-QSAR study of some new antiproliferative pyrazoles and pyrazolopyridines as potential CDK2 inhibitors. Eur. J. Med. Chem. 2021, 218, 113389. 10.1016/j.ejmech.2021.113389.

Kumar, R., Saha, P., Lokare, P., Datta, K., Selvakumar, P., & Chourasia, A. (2022). A Systemic Review of Ocimum sanctum (Tulsi): Morphological Characteristics, Phytoconstituents and Therapeutic Applications. International Journal for Research in Applied Sciences and Biotechnology, 9(2), 221-226.

Lemmon M. A.; Schlessinger J. Cell signaling by receptor tyrosine kinases. Cell 2010, 141, 1117–1134. 10.1016/j.cell.2010.06.011.

Roshan, K. (2020). Priya damwani, Shivam kumar, Adarsh suman, Suthar Usha. An overview on health benefits and risk factor associated with coffee. International Journal Research and Analytical Review, 7(2), 237-249.

Kim M.; Baek M.; Kim D. J. Protein Tyrosine signaling and its potential therapeutic implications in carcinogenesis. Curr. Pharm. Des. 2017, 23, 4226–4246. 10.2174/1381612823666170616082125

Sahana, S. (2020). Purabi saha, Roshan kumar, Pradipta das, Indranil Chatterjee, Prasit Roy, Sk Abdur Rahamat. A Review of the 2019 Corona virus (COVID-19) World Journal of Pharmacy and Pharmaceutical science, 9(9), 2367-2381.

Bansal R.; Malhotra A. Therapeutic progression of quinazolines as targeted chemotherapeutic agents. Eur. J. Med. Chem. 2021, 211, 113016. 10.1016/j.ejmech.2020.113016.

Bind, A., Das, S., Singh, V. D., Kumar, R., Chourasia, A., & Saha, P. Natural Bioactives For The Potential Management Of Gastric Ulceration. Turkish Journal of Physiotherapy and Rehabilitation, 32(3).

Mokhtar A. M.; El-Messery S. M.; Ghaly M. A.; Hassan G. S. Targeting EGFR tyrosine kinase: Synthesis, in vitro antitumor evaluation, and molecular modeling studies of benzothiazole-based derivatives. Bioorg. Chem. 2020, 104, 104259. 10.1016/j.bioorg.2020.104259.

Dubey, A., Yadav, P., Verma, P., & Kumar, R. (2022). Investigation of Proapoptotic Potential of Ipomoea carnea Leaf Extract on Breast Cancer Cell Line. Journal of Drug Delivery and Therapeutics, 12(1), 51-55.

Zhang H.; Berezov A.; Wang Q.; Zhang G.; Drebin J.; Murali R.; Greene M. I. ErbB receptors: from oncogenes to targeted cancer therapies. J. Clin. Invest. 2007, 117, 2051–2058. 10.1172/JCI32278.

Kumar, R., & Dubey, A. PHYTOCHEMICAL INVESTICATION AND HEPTOPROTECTIVE EVALUTION ACACIA RUBICA EXTRACT ISONIZED AND PARACETAMOL INDUSED ANIMAL TOXICITY. Turkish Journal of Physiotherapy and Rehabilitation, 32(3).

Othman I. M. M.; Alamshany Z. M.; Tashkandi N. Y.; Gad-Elkareem M. A. M.; Anwar M. M.; Nossier E. S. New pyrimidine and pyrazole-based compounds as potential EGFR inhibitors: synthesis, anticancer, antimicrobial evaluation and computational studies. Bioorg. Chem. 2021, 114, 105078. 10.1016/j.bioorg.2021.105078.

Saha, P., Kumar, R., Nyarko, R. O., Kahwa, I., & Owusu, P. (2021). HERBAL SECONDARY METABOLITE FOR GASTRO-PROTECTIVE ULCER ACTIVITY WITH API STRUCTURES.

Ahmed M. F.; Santali E. Y.; El-Deen E. M. M.; Naguib I. A.; El-Haggar R. Development of Pyridazine Derivatives as Potential EGFR inhibitors and Apoptosis Inducers: Design, Synthesis, Anticancer Evaluation, and Molecular Modeling Studies. Bioorg. Chem. 2021, 106, 104473. 10.1016/j.bioorg.2020.104473.

Nyarko, R. O., Prakash, A., Kumar, N., Saha, P., & Kumar, R. (2021). Tuberculosis a globalized disease. Asian Journal of Pharmaceutical Research and Development, 9(1), 198-201.

Capdevila J.; Elez E.; Macarulla T.; Ramos F. J.; Ruiz-Echarri M.; Tabernero J. Anti-epidermal growth factor receptor monoclonal antibodies in cancer treatment. Cancer Treat. Rev. 2009, 35, 354–363. 10.1016/j.ctrv.2009.02.001.

Raj, A., Tyagi, S., Kumar, R., Dubey, A., & Hourasia, A. C. (2021). Effect of isoproterenol and thyroxine in herbal drug used as cardiac hypertrophy. Journal of Cardiovascular Disease Research, 204-217.

Abd El-Meguid E. A.; Moustafa G. O.; Awad H. M.; Zaki E. R.; Nossier E. S. Novel benzothiazole hybrids targeting EGFR: Design, synthesis, biological evaluation and molecular docking studies. J. Mol. Struct. 2021, 1240, 130595. 10.1016/j.molstruc.2021.130595.

Singh, M. K., Kumar, A., Kumar, R., Kumar, P. S., Selvakumar, P., & Chourasia, A. (2022). Effects of Repeated Deep Frying on Refractive Index and Peroxide Value of Selected Vegetable Oils. International Journal for Research in Applied Sciences and Biotechnology, 9(3), 28-31.

Sahana, S. (2020). Roshan kumar, Sourav nag, Reshmi paul, Nilayan guha, Indranil Chatterjee. A Review on Alzheimer disease and future prospects. World Journal of Pharmacy and Pharmaceutical science, 9(9), 1276-1285.

Nyarko, R. O., Kumar, R., Sharma, S., Chourasia, A., Roy, A., & Saha, P. (2022). ANTIBACTERIAL ACTIVITY OF HERBAL PLANT-TINOSPORA CORDIFOLIA AND CATHARNTHUS ROSEUS.

Seshacharyulu P.; Ponnusamy M. P.; Haridas D.; Jain M.; Ganti A. K.; Batra S. K. Targeting the EGFR signaling pathway in cancer therapy. Expert Opin. Ther. Targets 2012, 16, 15–31. 10.1517/14728222.2011.648617.

Sahana, S., Kumar, R., Nag, S., Paul, R., Chatterjee, I., & Guha, N. (2020). A REVIEW ON ALZHEIMER DISEASE AND FUTURE PROSPECTS.

Kannaiyan R.; Mahadevan D. A comprehensive review of protein kinase inhibitors for cancer therapy. Expert Rev. Anticancer Ther. 2018, 18, 1249–1270. 10.1080/14737140.2018.1527688.

Nyarko, R. O., Saha, P., Kumar, R., Kahwa, I., Boateng, E. A., Boateng, P. O., ... & Bertram, A. (2021). Role of Cytokines and Vaccines in Break through COVID 19 Infections. Journal of Pharmaceutical Research International, 33, 2544-2549.

PURABISAHA, R. K., RAWAT, S. S. N., & PRAKASH, A. (2021). A REVIEW ON NOVEL DRUG DELIVERY SYSTEM.

Petrelli A.; Giordano S. From single- to multi-target drugs in cancer therapy: When a specificity becomes an advantage. Curr. Med. Chem. 2008, 15, 422–432. 10.2174/092986708783503212.

Nyarko, R. O., Boateng, E., Kahwa, I., & Boateng, P. O. (2020). A comparison analysis on remdesivir, favipiravir, hydroxychloroquine, chloroquine and azithromycin in the treatment of corona virus disease 2019 (COVID-19)-A Review. World J. Pharm. Pharm. Sci, 9, 121-133.

Hawata M. A.; El-Sayed W. A.; Nossier E. S.; Abdel-Rahman A. A. H. Synthesis and Cytotoxic Activity of New Pyrimido [1, 2-c] quinazolines,[1, 2, 4] triazolo [4, 3-c] quinazolines and (quinazolin-4-yl)-1H-pyrazoles Hybrids. Biointerface Res. Appl. Chem. 2022, 12, 5217–5233.

Nyarko, R. O., Boateng, E., Kahwa, I., Boateng, P. O., & Asare, B. (2020). The impact on public health and economy using lockdown as a tool against COVID-19 pandemic in Africa: a perspective. J Epidemiol Public Health Rev, 5(3).

Xiao Z.; Zhou Z.; Chu C.; Zhang Q.; Zhou L.; Yang Z.; Li X.; Yu L.; Zheng P.; Xu S.; Zhu W. Design, synthesis and antitumor activity of novel thiophene-pyrimidine derivatives as EGFR inhibitors overcoming T790M and L858R/T790M mutations. Eur. J. Med. Chem. 2020, 203, 112511. 10.1016/j.ejmech.2020.112511.

Nyarko, R. O., Boateng, E., Kahwa, I., Boateng, P. O., & Asare, B. (2020). The impact on public health and economy using lockdown as a tool against COVID-19 pandemic in Africa: a perspective. J Epidemiol Public Health Rev, 5(3).

KUMAR, R., SAHA, P., SARKAR, S., RAWAT, N., & PRAKASH, A. (2021). A REVIEW ON NOVEL DRUG DELIVERY SYSTEM. IJRAR-International Journal of Research and Analytical Reviews (IJRAR), 8(1), 183-199.

Kumar, R., Saha, P., Pathak, P., Mukherjee, R., Kumar, A., & Arya, R. K. EVOLUTION OF TOLBUTAMIDE IN THE TREATMENT OF DIABETES MELLITUS. Jour. of Med. P’ceutical & Alli. Sci, 9.

Barker A. J.; Gibson K. H.; Grundy W.; Godfrey A. A.; Barlow J. J.; Healy M. P.; Woodburn J. R.; Ashton S. E.; Curry B. J.; Scarlett L.; Henthorn L.; Richards L. Studies leading to the identification of ZD1839 (Iressa): an orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer. Bioorg. Med. Chem. Lett. 2001, 11, 1911–1914. 10.1016/S0960-894X(01)00344-4.

Kumar, R., Saha, P., Kumar, Y., Sahana, S., Dubey, A., & Prakash, O. (2020). A Review on Diabetes Mellitus: Type1 & Type2. World Journal of Pharmacy and Pharmaceutical Sciences, 9(10), 838-850.

Khattab R. R.; Alshamari A. K.; Hassan A. A.; Elganzory H. H.; El-Sayed W. A.; Awad H. M.; Nossier E. S.; Hassan N. A. Click chemistry-based synthesis, cytotoxic activity and molecular docking of novel triazole-thienopyrimidine hybrid glycosides targeting EGFR. J. Enzyme Inhib. Med. Chem. 2021, 36, 504–516. 10.1080/14756366.2020.1871335.

Daharia, A., Jaiswal, V. K., Royal, K. P., Sharma, H., Joginath, A. K., Kumar, R., & Saha, P. (2022). A Comparative review on ginger and garlic with their pharmacological Action. Asian Journal of Pharmaceutical Research and Development, 10(3), 65-69

Shah B., Modi P., Sagar S.R. In silico studies on therapeutic agents for COVID-19: drug repurposing approach. Life Sci. 2020;252:1–12. doi: 10.1016/j.lfs.2020.117652.

Kumar, R., Jain, A., Tripathi, A. K., & Tyagi, S. (2021, January). Covid-19 outbreak: An epidemic analysis using time series prediction model. In 2021 11th international conference on cloud computing, data science & engineering (Confluence) (pp. 1090-1094). IEEE.

A distinct name is needed for the new coronavirus. https://www.thelancet.com/pdfs/journals/lancet/PIIS0140-6736(20)30557-2.pdf

KUMAR, A. (2019). The Scenario of Pharmaceuticals and Development of Microwave Assisted Extraction Techniques.

Coronavirus disease (COVID-19) pandemic. World Health Organization (WHO). https://www.who.int/emergencies/diseases/novel-coronavirus-2019

Saha, P., Nyarko, R. O., Lokare, P., Kahwa, I., Boateng, P. O., & Asum, C. (2022). Effect of Covid-19 in Management of Lung Cancer Disease: A Review. Asian Journal of Pharmaceutical Research and Development, 10(3), 58-64.

Report of the WHO-China joint mission on coronavirus disease 2019 (COVID-19). World Health Organization (WHO). https://www.who.int/docs/default-source/coronaviruse/who-china-joint-mission-on-covid-19-final-report.pdf

Andersen K.G., Rambaut A., Lipkin W.I., Holmes E.C., Garry R.F. Correspondence: the proximal origin of SARS-CoV-2. Nat. Med. 2020;26:450–452. doi: 10.1038/s41591-020-0820-9.

Kumar, R., & Saha, P. (2022). A Review on Artificial Intelligence and Machine Learning to Improve Cancer Management and Drug Discovery. International Journal for Research in Applied Sciences and Biotechnology, 9(3), 149-156.

Kumar, S., Yadav, S. P., Chandra, G., Sahu, D. S., Kumar, R., Maurya, P. S., ... & Ranjan, K. (2019). Effect of dietary supplementation of yeast (Saccharomyces cerevisiae) on performance and hemato-biochemical status of broilers.

Mukkamala, R., Kumar, R., Banerjee, S. K., & Aidhen, I. S. (2020). Synthesis of Benzyl C‐Analogues of Dapagliflozin as Potential SGLT2 Inhibitors. European Journal of Organic Chemistry, 2020(12), 1828-1839.

Kong R., Yang G., Xue R., Liu M., Wang F., Hu J., Guo X., Chang S. COVID-19 docking server: an interactive server for docking small molecules, peptides and antibodies against potential targets of COVID-19. Bioinformatics. 2020 https://arxiv.org/ct?url=https%3A%2F%2Fdx.doi.org%2F10.1093%2Fbioinformatics%2Fbtaa645&v=22737329

Prajapa M., Sarma P., Shekhar N., Avti P., Sinha S., Kaur H., Kumar S., Bhattacharyya A., Kumar H., Bansal S., Medhi B. Drug targets for corona virus: a systematic review. Indian J. Pharmacol. 2020;52:56–65.

Bhati, V., Yadav, P. K., & Kumar, R. (2018). Effect of Levels of Inorganic Fertilizers, Organic Manure and Bio-Fertilizers on Plant Growth Attributes of Onion (Allium cepa L.) cv. N-53 under Hot Arid Region of Western Rajasthan, India. International J. Curr. Micro. Appl. Sci, 7, 3593-601.

Liu X., Li Z., Liu S., Sun J., Chen Z., Jiang M., Zhang Q., Wei Y., Wang X., Huang Y., Shi Y., Xu Y., Xian H., Bai F., Ou C., Xiong B., Lew A.M., Cui J., Fang R., Huang H., Zhao J., Hong X., Zhang Y., Zhou F., Luo H. Potential therapeutic effects of dipyridamole in the severely ill patients with COVID-19. Acta Pharm. Sin. B. 2020;811:1–11. doi: 10.1016/j.apsb.2020.04.008.

Nyarko, R. O., Roopini, R., Raviteja, V., Awuchi, C. G., Kumar, R., Faller, E. M., ... & Saha, P. (2022). Novel Sars-CoV-2 Variants & Therapeutic Effects. Journal for Research in Applied Sciences and Biotechnology, 1(2), 25-34.

Bugga, P., Alam, M. J., Kumar, R., Pal, S., Chattopadyay, N., & Banerjee, S. K. (2022). Sirt3 ameliorates mitochondrial dysfunction and oxidative stress through regulating mitochondrial biogenesis and dynamics in cardiomyoblast. Cellular Signalling, 94, 110309.

Anubhav, S. P. D., Sanjay, K. D., & Roshan, K. Evaluation of Enzyme Producing K. Pneumoniae and Their Susceptibility to Other Anti-Biotics. International Journal of Innovative Science and Research Technology2022, 7(5), 351-353.

Saha, P., Kumar, A., Bhanja, J., Shaik, R., Kawale, A. L., & Kumar, R. (2022). A Review of Immune Blockade Safety and Antitumor Activity of Dostarlimab Therapy in Endometrial Cancer. International Journal for Research in Applied Sciences and Biotechnology, 9(3), 201-209.

Ghosh R., Chakraborty A., Biswas A., Chowdhuri S. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation study. J. Biomol. Struct. Dyn. 2020:1–13. doi: 10.1080/07391102.2020.1779818.

Kumar, R., Keshamma, E., Paswan, S. K., Saha, P., Trivedi, U., Chourasia, A., & Otia, M. (2022). Alkaloid Based Chemical Constituents of Ocimum santum & Cinchona Bark: A Meta Analysis. Journal for Research in Applied Sciences and Biotechnology, 1(2), 35-42.

Ko W., Rolain J., Lee N., Chen P., Huang C., Lee P., Hsueh P. Arguments in favour of remdesivir for treating SARS-CoV-2 infections. Int. J. Antimicrob. Agents. 2020;55:1–3. doi: 10.1016/j.ijantimicag.2020.105933.