Insilico, Synthesis and Invitro Evaluation of Novel Thiadiazoles as Inhibitors Caspase 3 For Potential of Anticancer

Authors

  • Patibandla. Jahnavi
  • Gaurav Tiwari
  • A Rajendiran
  • Varsha Patwekar
  • Ramdas Baburao Rode
  • Jamdhade Ashwini Ashok
  • Sindhu Priya E S
  • Praveencumar R

DOI:

https://doi.org/10.52783/jns.v14.3216

Keywords:

Cancer, caspase 3, thiadiazole, imidazole, synthesis

Abstract

This paper explains how to create different new compounds that include thiadiazole and imidazole with a cyclopropyl group. The diverse biological activities and therapeutic applications of imidazothiadiazoles render them intriguing. We predominantly perform docking experiments using the reference structure PDB ID 3KJ7. To focus on the cysteine proteases in the caspase family, we have created a new group of diaryl compounds that have imidazothiadiazoles attached. To monitor the reaction, we employed thin-layer chromatography with an appropriate mobile phase.  By comparing the Rf values, the melting point of the produced compounds was ascertained.  To further characterize and validate these derivatives, we used mass spectrometry analyses, one-dimensional nuclear magnetic resonance, carbon-13 nuclear magnetic resonance, and infrared spectroscopy.  All cancer cell lines were effectively inhibited by compounds 1 and 3. The manufactured medications were assessed using a colorimetric assay using a caspase 3 inhibitor kit.

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References

Tiwari, G., Gupta, M., Devhare, L. D., & Tiwari, R. (2024). Therapeutic and phytochemical properties of thymoquinone derived from Nigella sativa. Current Drug Research Reviews Formerly: Current Drug Abuse Reviews, 16(2), 145-156.

Mostafa, M. S., Radini, I. A. M., El-Rahman, N. M. A., & Khidre, R. E. (2024). Synthetic Methods and Pharmacological Potentials of Triazolothiadiazines: A Review. Molecules, 29(6), 1326.

Tiwari, R., Khatri, C., Tyagi, L. K., & Tiwari, G. (2024). Expanded Therapeutic Applications of Holarrhena Antidysenterica: A Review. Combinatorial Chemistry & High Throughput Screening, 27(9), 1257-1275.

Dincel, E. D., & Güzeldemirci, N. U. (2019). Discovery, Synthesis and Activity Evaluation of Novel Compounds Bearing 1, 2, 4-triazolo [3, 4-b][1, 3, 4] thiadiazine Moiety: A Review. Sağlık Bilimlerinde İleri Araştırmalar Dergisi, 2(2), 60-70.

Tiwari, G., Tiwari, R., & Kaur, A. (2023). Pharmaceutical Considerations of Translabial Formulations for Treatment of Parkinson’s Disease: A Concept of Drug Delivery for Unconscious Patients. Current Drug Delivery, 20(8), 1163-1175.

Tiwari, R., Tiwari, G., & Parashar, P. (2023). Theranostics Applications of Functionalized Magnetic Nanoparticles. In Multifunctional And Targeted Theranostic Nanomedicines: Formulation, Design And Applications (pp. 361-382). Singapore: Springer Nature Singapore.

Tiwari, R., Tiwari, G., Mishra, S., & Ramachandran, V. (2023). Preventive and therapeutic aspects of migraine for patient care: An insight. Current Molecular Pharmacology, 16(2), 147-160.

Boraei, A. T., Ghabbour, H. A., Gomaa, M. S., El Ashry, E. S. H., & Barakat, A. (2019). Synthesis and anti-proliferative assessment of triazolo-thiadiazepine and triazolo-thiadiazine scaffolds. Molecules, 24(24), 4471.

Tiwari, R., & Pathak, K. (2023). Local drug delivery strategies towards wound healing. Pharmaceutics, 15(2), 634.

Tiwari, R., Tiwari, G., Sharma, S., & Ramachandran, V. (2023). An Exploration of herbal extracts loaded phyto-phospholipid complexes (Phytosomes) against polycystic ovarian syndrome: Formulation considerations. Pharmaceutical Nanotechnology, 11(1), 44-55.

Tiwari, G., Chauhan, A., Sharma, P., & Tiwari, R. (2022). Nutritional Values and Therapeutic Uses of Capra hircus Milk. International Journal of Pharmaceutical Investigation, 12(4).

Kaushik, D., Sardana, S., & Mishra, D. N. (2009). 5-fluorouracil loaded guar gum microspheres for colon delivery: preparation, characterization and in vitro release. Yao xue xue bao= Acta pharmaceutica Sinica, 44(11), 1278-1284.

Deep, A., Kaur Bhatia, R., Kaur, R., Kumar, S., Kumar Jain, U., Singh, H., ... & Kishore Deb, P. (2017). Imidazo [1, 2-a] pyridine scaffold as prospective therapeutic agents. Current topics in medicinal chemistry, 17(2), 238-250.

Dincel, E. D., Akdağ, Ç., Kayra, T., Coşar, E. D., Aksoy, M. O., Akalın-Çiftçi, G., & Ulusoy-Güzeldemirci, N. (2022). Design, synthesis, characterization, molecular docking studies and anticancer activity evaluation of novel hydrazinecarbothioamide, 1, 2, 4-triazole-3-thione, 4-thiazolidinone and 1, 3, 4-oxadiazole derivatives. Journal of Molecular Structure, 1268, 133710.

Jyoti, K., Pandey, R. S., Kush, P., Kaushik, D., Jain, U. K., & Madan, J. (2017). Inhalable bioresponsive chitosan microspheres of doxorubicin and soluble curcumin augmented drug delivery in lung cancer cells. International journal of biological macromolecules, 98, 50-58.

Kaushik, D., Sardana, S., & Mishra, D. N. (2009). In vitro cytotoxicity analysis of 5-fluorouracil loaded guar gum microspheres on HT-29 colon cancer cell line. Int J Pharm Sci Drug Res, 1(2), 83-4.

Kaushik, D., Sharma, K., & Sardana, S. (2016). Colon targeting guar gum microspheres of 5-aminosalicylic acid: evaluation of various process variables, characterization and in-vitro drug release. Cell, 91, 130-2221072.

Bléhoué IC, Koné M, Esmell EA, Fofana I,KéïtaM, MegnassanE. Molecular modelling and virtual screening application to the computer-aided design of anticancer inhibitors with a favorable pharmacokinetic profile againstE6 papillomavirus type 16. Universal Journal of Pharmaceutical Research 2024; 9(5): 51-67.http://doi.org/10.22270/ujpr.v9i5.1198

El-Behairy MF, Fayed MAA, Ahmed RM, Abdallah IA.Computational drug reproposing to Identify SARS-CoV-2 Mpro Inhibitors: Molecular Docking, ADMET analysis, and in-silico/in-vitrotoxicity study. Universal Journal ofPharmaceutical Research 2022; 7(5):23-31.https://doi.org/10.22270/ujpr.v7i5.837

Awofisayo O. Insilico identification of target palindromic genes as potential drug targets in breast cancer therapy. Universal Journal of Pharmaceutical Research 2020; 5(5):1-3.https://doi.org/10.22270/ujpr.v5i5.47

Kouman KC, Kouassi AF, Fagnidi YKH, Fofana I, Allangba KNPG, KéitaM, MegnassanE. Virtual design of novel of orally bioavailable piperazine inhibitors of enoyl-acyl carrier protein reductase of Mycobacterium tuberculosiswith favorable pharmacokinetic profiles. Universal Journal of Pharmaceutical Research 2024; 9(5): 91-104.http://doi.org/10.22270/ujpr.v9i5.121

AWofisayo O. In silicoantimalarial target selection conserved in four Plasmodiumspecies.Universal Journal of Pharmaceutical Research 2020; 5(4):27-31.https://doi.org/10.22270/ujpr.v5i5.48

Ajmal S, Khan S. In silicoligand-based 2D pharmacophore generation for H+/K+ATPase inhibitors. Universal Journal of Pharmaceutical Research.2017; 2(4): 29-35.http://doi.org/10.22270/ujpr.v2i4.R7

⁠Pippalla, S., Kumar, V., Nekkalapudi, A.R.(2024).A Novel, Stability-Indicating RP-HPLC Method for Simultaneous Estimation of Assay and Organic Impurities of Pyridostigmine Bromide and Assay of Sodium Benzoate in Liquid Oral Formulation. Pharm Chem J 58, 1339–1347.

⁠Sreenivas Pippalla, Arjuna Rao Nekkalapudi, Suresh Babu Jillellamudi .(2022).Stability Indicating RP-UPLC Method for Quantification of Glycopyrrolate, Methylparaben and Propylparaben Assay in Liquid Oral Formulation American Journal of Analytical Chemistry 13(12).

Pippalla S, Nekkalapudi AR, Jillellamudi SB, Reddy MP, Kumar CV.(2023) A stability-indicating, reversed-phase HPLC method for quantification of assay and organic impurities in doxycycline hyclate bulk and parenteral dosage forms. Biomed Chromatogr. 2023 Mar 17: e5626.

Sreenivas Pippalla, Arjuna Rao Nekkalapudi, Venugopal Reddy Komreddy.(2024).A validated stability-indicating reversed-phase-UPLC method for simultaneous estimation of promethazine hydrochloride, methylparaben, propylparaben and sodium benzoate assay of cough suppressant and antihistamine liquid oral dosage forms. Biomed Chromatogr. 2024 July14: e5944.

Sreenivas Pippalla, Srinivasulu Kasa, Dipak Goyal, Venugopal Komreddy, Poluri Venkata Reddy.(2024).A Novel Reversed Phase HPLC Assay Method for Simultaneous Estimation of Glucose, Sodium Citrate and Chlorides in Pharmaceutical Formulations and Drug Solution for Oral Rehydration. Journal of Pharmaceutical, Research & Reports. SRC/JPRSR-180.

Gaurav Tiwari, Santosh Karajgi, Vattakkalvalasu Ramathan Ravikkumar, Ram Kumar Choudhary, Jegannathan Kannan Shyamala, Vinod Kumar, Sreenivas Pippalla.(2024).An In-depth Review of Exploring the Potential of Colloidosomes in Drug Delivery.International Journal of Pharmaceutical Investigation 14 (4).

Dr. Dinesh Kaushik, Manisha, Dr. Saroj Jain(2024), Fast dissolving tablets of Nano-Steroids Anti- Inflammatory drug: A review in IJRTI, volume 9, Issue 3, pages 706-720.

Gourav, Dinesh Kaushik, Saroj Jain(2022), SNEDDS: A vital role in Drug Delivery true or myth in WJPER, volume 11, Issue 13, pages 1965-1991.

Arman Dalal, Dinesh Kaushik, Saroj jain (2022), Invasomes : A novel deformable vasicluar nanocarrier for enhanced transdermal drug delivery in BJPMR, volume 7, Issue 5, pages 4044-4059.

Balekundri, A., Ahire, E.D. and Keservani, R.K., (2024). Plant Metabolites and Vegetables for Diabetes Prevention and Treatment. In Plant Metabolites and Vegetables as Nutraceuticals (pp. 333-360). Apple Academic Press.

Ahire, E.D., Surana, K.R., Keservani, R.K., Gupta, A.K., Yadav, A., Bharti, S.K., Jaiswal, M. and Singh, B.K., (2021). Current overview of the nutraceutical nanoparticulate delivery technology with special emphasis on herbal formulation.

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Published

2025-04-08

How to Cite

1.
Jahnavi P, Tiwari G, Rajendiran A, Patwekar V, Baburao Rode R, Ashwini Ashok J, Priya E S S, R P. Insilico, Synthesis and Invitro Evaluation of Novel Thiadiazoles as Inhibitors Caspase 3 For Potential of Anticancer. J Neonatal Surg [Internet]. 2025Apr.8 [cited 2025Oct.21];14(13S):252-60. Available from: https://www.jneonatalsurg.com/index.php/jns/article/view/3216

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