Browsing by Author "Naina Rajak"

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Advances in non-covalent based inhibitors targeting Myc: a promising approach for cancer treatment
(Newlands Press Ltd, 2024) Vipendra Kumar Singh; Naina Rajak; Rajanish Giri; Neha Garg
[No abstract available]
Exploring dual-channel ion detection and theoretical insights: Chromone-based colorimetric receptor for Cu2+and its Zn(II)-complex as ultrasensitive fluorescent probe for Ag+ and Fe3+
(Elsevier B.V., 2025) Neha Thakur; Naina Rajak; Neha Garg; Pankaj Kandwal; Rampal Pandey
Present article delineates the design and synthesis of a chromone-appended Schiff base (1) and its complexes with Zn(II) (2) and Cu(II) (3), which have been characterized by various spectro-analytical techniques i.e., elemental analysis, FTIR, 1H & 13C NMR, ESI-MS, UV−vis and fluorescence. Structures of 1 and 3 have also been elucidated using single crystal X-ray diffraction analysis. Compounds 2 showed significant effect in vitro cytotoxicity as compared to 1 Against MDA−MB-231 cell line. Interestingly, 1 serves as a chromogenic sensor for Cu2+ with exceptional selectivity whereas, 2 serves as an ultrasensitive fluorescent probe for Ag+ and Fe3+ in mixed aqueous−ethanol. The presence of Ag+ causes ratiometric change in the fluorescence spectral feature of 2 whereas Fe3+ induces ‘turn-off’ fluorescence in 2. Probe−analyte binding stoichiometry suggested by Job's plot analysis, ESI−MS and DFT studies, has been found to be 1:1 for 1 with Cu2+ and 2 with Ag+ whereas, 1:2 between 2 and Fe3+. Based on diverse analyses and binding constants, it is observed that 2 offers higher selectivity toward Ag+ over Fe3+. Limit of detection (LoD) of 1 for Cu2+ and 2 for Ag+ and Fe3+ have been found to be 2.33 nM, 22.4 µM and 2.05 µM, respectively. Complexes 2+Ag+ and 2+Fe3+ characterized by ESI−MS whereas DFT studies have been carried out to investigate the deeper bonding insights and provide support in our experimental investigations. Further, detection of Ag+ and Fe3+ has been practically accomplished in real water samples using probe 2. © 2024
Green single-step hydrothermal synthesis of fluorescent carbon dots from Lantana camara flower for the effective fluorescent detection of Cr(VI) and live cell imaging
(Springer Science and Business Media Deutschland GmbH, 2025) Vikky Kumar Mahto; Vikas Kumar Singh; Vipendra Kumar Singh; Avinash K. Singh; Savita S. Singh; Arjun Kumar Mehara; Naina Rajak; Anurag Mishra; Neha Garg; Akanksha Upadhyay; Abhishek Rai; Ankit Kumar Singh
Chromium is one of the heavy metal ions showing high toxicity and mutagenicity. Owing to this, selective sensing of Cr(VI) from sample metrics is a challenging and tedious process. In the present work, we have synthesized fluorescent carbon dots (FCDs) using the flower of Lantana camara through a one-step hydrothermal method. Various spectroscopic techniques such as transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), EDAX, and Raman analysis well supported the successful synthesis of FCDs. The obtained FCDs revealed a bright blue color under UV-light exposure (@ 365 nm), with excellent optical properties and a fluorescence quantum yield of 29%. Furthermore, FCDs showed excellent fluorescence stability, high ionic strength, good water solubility, low cytotoxicity, and well biocompatibility. Therefore, the proposed FCDs were employed for selective turn-off sensing of toxic Cr(VI) in an aqueous medium with a limit of detection (LOD) of 0.10 µM. Interestingly, the low cytotoxicity and excellent biocompatibility enable the FCDs as a good candidate for cell imaging agents as well as intracellular turn-off sensing of Cr(VI) in HEK-293 cells. Thus, the present work significantly converts biomass of weed plants into a fluorescent probe in a simple and cost-effective way for the detection of Cr(VI) in water samples as well as in living cells. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.
Green single-step hydrothermal synthesis of fluorescent carbon dots from Lantana camara flower for the effective fluorescent detection of Cr(VI) and live cell imaging
(Springer Science and Business Media Deutschland GmbH, 2024) Vikky Kumar Mahto; Vikas Kumar Singh; Vipendra Kumar Singh; Avinash Singh; Savita Singh; Arjun Kumar Mehara; Naina Rajak; Anurag Mishra; Neha Garg; Akanksha Upadhyay; Abhishek Rai; Ankit Kumar Singh
Chromium is one of the heavy metal ions showing high toxicity and mutagenicity. Owing to this, selective sensing of Cr(VI) from sample metrics is a challenging and tedious process. In the present work, we have synthesized fluorescent carbon dots (FCDs) using the flower of Lantana camara through a one-step hydrothermal method. Various spectroscopic techniques such as transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), EDAX, and Raman analysis well supported the successful synthesis of FCDs. The obtained FCDs revealed a bright blue color under UV-light exposure (@ 365 nm), with excellent optical properties and a fluorescence quantum yield of 29%. Furthermore, FCDs showed excellent fluorescence stability, high ionic strength, good water solubility, low cytotoxicity, and well biocompatibility. Therefore, the proposed FCDs were employed for selective turn-off sensing of toxic Cr(VI) in an aqueous medium with a limit of detection (LOD) of 0.10 µM. Interestingly, the low cytotoxicity and excellent biocompatibility enable the FCDs as a good candidate for cell imaging agents as well as intracellular turn-off sensing of Cr(VI) in HEK-293 cells. Thus, the present work significantly converts biomass of weed plants into a fluorescent probe in a simple and cost-effective way for the detection of Cr(VI) in water samples as well as in living cells. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.
Immunomodulatory potential of bioactive glycoside syringin: a network pharmacology and molecular modeling approach
(Taylor and Francis Ltd., 2024) Vipendra Kumar Singh; D.C. Thakur; Naina Rajak; Rajanish Giri; Neha Garg
Many diseases, such as rheumatoid arthritis, neurodegenerative disease, lupus, autoimmune disease, and cancer, are described by chronic inflammation following tissue damage. Anti-inflammatory drugs like non-steroidal anti-inflammatory drugs and other steroids cause many side effects and generally need careful consideration and monitoring during usage. In recent years, a significant interest in plant-derived approaches has been warranted. The bioactive glycoside syringin might be one of the effective immunomodulatory agents. However, its immunomodulatory potential needs to be better known. In this study, we evaluated the immunomodulatory potential of syringin using network pharmacology, molecular docking, and molecular dynamics simulation-based approaches. First, we applied the GeneCards and OMIM databases to acquire the immunomodulatory agents. Then, the STRING database was utilized to get the hub genes. Interaction analysis and molecular docking described strong binding of the active site of immunomodulatory proteins with the bioactive syringin. Molecular dynamics simulations (200 ns) showed a very stable interaction of syringin with the immunomodulatory protein. Further, the optimized structure and molecular electrostatic potential of the syringin were calculated by a density-functional theory utilizing basis levels of B3LYP/6-31. Syringin investigated in this study holds the required drug-likeness characteristics and follows Lipinski’s rule of five. However, quantum-chemical estimations show the syringin has potent reactivity, demonstrating a lower energy gap. Furthermore, the gap between ELUMO and EHOMO was low, suggesting the excellent affinity of syringin towards the immunomodulatory proteins. The present study shows that syringin might be an effective immunomodulatory agent and can be further explored using different experimental methods. Communicated by Ramaswamy H. Sarma. © 2023 Informa UK Limited, trading as Taylor & Francis Group.
Immunomodulatory potential of himalayan plant: Withania somnifera
(Bentham Science Publishers, 2023) Kavita; Naina Rajak; Praveen Kumar; Shikha Singh; Neha Garg
Withania somnifera, a herb used in Ayurveda since ancient times, is commonly found in the Himalayan belt. Withania somnifera is reported to be useful in fever, arthritis, asthma, bronchitis, tuberculosis, syphilis, and cancers. Its leaves are found to be effective against swelling, chest pain, sores, and ulcers. Withania possesses antioxidant, immunomodulatory, anti-inflammatory, anti-stress, anti-bacterial, antimicrobial, anti-fungal, anti-tumor, adaptogenic, and memory-enhancing properties. Among the bioactive compounds present in Withania, Withaferin A is the most important and well-explored compound having anti-cancer activity among several other activities. Many studies have reported the anti-inflammatory action of Withania somnifera and isolated Withaferin A. In this chapter, we have summarized the antiinflammatory activities exhibited by this multifaceted medicinal plant. © 2023 Bentham Science Publishers. All rights reserved.
Molecular insights into Anti-SARS-CoV-2 activity of catechins against protein targets for COVID-19 management
(CRC Press, 2024) Naina Rajak; Vipendra Kumar Singh; Neha Garg
[No abstract available]
Pharmacological, therapeutic, and immunomodulatory role of Tinospora cordifolia
(Bentham Science Publishers, 2023) Naina Rajak; Kavita; Praveen Kumar; Shikha Singh; Neha Garg
Tinospora cordifolia (TC, Giloy, Guduchi, or Amrita) is a valuable medicinal herb in the Indian System of Medicine (ISM), Chinese, and other traditional systems of medicine. TC contains a broad array of therapeutic phytoconstituents like alkaloids, glycosides, steroids, terpenoids, aliphatic compounds, diterpene lactones, phenolics, and flavonoids. TC is hailed for its therapeutic use with anti-inflammatory, anti-cancer, anti-diabetic, cardiac disease, anti-arthritis, and anti-microbial properties. TC induces immunomodulatory effects through the induction of macrophage activation, pro-inflammatory and anti-inflammatory cytokines, lymphocyte proliferation, and also secretion of interleukins. The present chapter highlights the biological properties, therapeutic use, and immunomodulatory pathways of Tinospora cordifolia. © 2023 Bentham Science Publishers. All rights reserved.
Role of MicroRNA-21 in Prostate Cancer Progression and Metastasis: Molecular Mechanisms to Therapeutic Targets
(Springer Science and Business Media Deutschland GmbH, 2024) Vipendra Kumar Singh; Naina Rajak; Yashasvi Singh; Ankit Kumar Singh; Rajanish Giri; Neha Garg
The role of noncoding RNA has made remarkable progress in understanding progression, metastasis, and metastatic castration-resistant prostate cancer (mCRPC). A better understanding of the miRNAs has enhanced our knowledge of their targeting mainly at the therapy level in solid tumors, such as prostate cancer (PCa). microRNAs (miRNAs) belong to a class of endogenous RNA that deficit encoded proteins. Therefore, the role of miRNAs has been well-coined in the progression and development of PCa. miR-21 has a dual nature in its work both as a tumor suppressor and oncogenic role, but most of the recent studies showed that miR-21 is a tumor promoter and also is involved in castration-resistant prostate cancer (CRPC). Upregulation of miR-21 suppresses programmed cell death and inducing metastasis and castration resistant in PCa. miR-21 is involved in the different stages, such as proliferation, angiogenesis, migration, and invasion, and plays an important role in the progression, metastasis, and advanced stages of PCa. Recently, various studies directly linked the role of high levels of miR-21 with a poor therapeutic response in the patient of PCa. In the present review, we have explained the molecular mechanisms/pathways of miR-21 in PCa progression, metastasis, and castration resistant and summarized the role of miR-21 in diagnosis and therapeutic levels in PCa. In addition, we have spotlighted the recent therapeutic strategies for targeting different stages of PCa. © Society of Surgical Oncology 2024.
Role of microRNAs in oncogenic viral infection diagnosis and therapeutics
(Elsevier, 2024) Prakriti Gaur; Naina Rajak; Aman Tiwari; Praveen Kumar; Neha Garg
About 15% of all cancers are considered to be caused by viral infections globally. Most viruses can produce small noncoding RNAs called microRNAs (miRNAs) that tailor the expression of host genes, contributing to carcinogenic processes. Typically, miRNAs consist of short (~22 nucleotides) RNA sequences that regulate posttranscriptional gene expression. These play a vital role in development, cellular proliferation, differentiation, survival, and apoptosis regulation. In viral infections, miRNAs have been linked with complex cross-talk between host and virus, which might play a crucial role in pathogenesis. Recent studies have unraveled a complex interplay between oncoproteins from viruses, miRNAs encoded by viruses, and host cell genes, which can influence the transformation of normal cells and the proliferation, differentiation, migration, metastasis, and apoptosis of tumor cells. Hepatitis B virus, hepatitis C virus, human papillomavirus, human herpesvirus, polyomaviruses, and Epstein–Barr virus, along with transregulating retroviruses such as human immunodeficiency virus, belong to the group of human oncoviruses. These oncoviruses employ their encoded sequences, and miRNAs, in the regulation of tumor growth. The potential activities of virally encoded miRNAs discovered in deadly human viruses indicate that host cell machinery might have impacted viral evolution. Therefore understanding the processes underlying viral miRNA-mediated carcinogenesis might help in the development of novel antivirals and could provide an avenue for the early detection and noninvasive therapy of virus-related malignancies. © 2024 Elsevier Inc. All rights reserved.
ROS-Responsive Delivery Nanoplatforms in Cancer Theranostics
(CRC Press, 2023) Naina Rajak; Praveen Kumar; Namdev L. Dhas; Yashasvi Singh; Neha Garg
The partial reduction of molecular oxygen produces reactive oxygen species (ROS). Free radicals such as O2•- and H2O2 are the well-known studied ROS in various cancers. ROS plays a crucial role in abnormal cell proliferation and growth. ROS increases genetic instability, metastasis, and angiogenesis and causes damage to DNA, proteins, and lipids. Elevated levels of ROS also act as pro-tumourigenic by activating pro-survival signalling pathways and loss of function of tumour suppressor genes. ROS enhances the dysfunction of metabolic activity and the formation of oncogenic stimulations. Nowadays, researchers are showing interest in exploring nanoparticles as drug carriers in the construction of drug delivery systems. Targeted nanomedicine therapy is supposed to be a promising strategy for treating cancers. Tumour cells contain typical characteristics, such as low oxygen level, low pH level, high expression of enzymes, and elevation in ROS levels. These all provide low drug targeting, weak drug delivery efficiency, and poor drug penetration in tissues. As a result, researchers use these characteristics as stimulating factors to construct nanocarriers that can enhance the therapeutic effect of anti-tumorous drugs. The development of ROS-responsive nanovehicles for drug delivery to various cancers has made considerable strides, as explained in this chapter. Also mentioned are the existing drawbacks and potential future applications of ROS-stimulated nanoparticles for treating heterogeneous cancer. © 2024 selection and editorial matter, Yashwant V. Pathak, Jayvadan K. Patel, Namdev L. Dhas and Vipul P. Patel; individual chapters, the contributors.
The multi-protein targeting potential of bioactive syringin in inflammatory diseases: using molecular modelling and in-silico analysis of regulatory elements
(Taylor and Francis Ltd., 2024) Vipendra Kumar Singh; D.C. Thakur; Naina Rajak; Anand Mishra; Ankur Kumar; Rajanish Giri; Neha Garg
Inflammation plays a crucial role in the onset or progression of a variety of acute and chronic diseases. Non-steroidal anti-inflammatory drugs (NSAIDs) are the only available FDA-approved therapy. The therapeutic outcome of NSAIDs is still finite due to off-target effects and extreme side effects on other vital organs. Bioactive syringin has been manifested to hold anti-osteoporosis, cardiac hypertrophy, alter autophagy, anti-cancer, neuro-preventive effects, etc. However, its multi-protein targeting potential in inflammation mostly remains unexplored. In the present work, we have checked the multi-protein targeting potential of bioactive glycoside syringin in inflammatory diseases. Based on the binding score of protein-ligand complexes, glycoside syringin scored greater than −7 kcal/mol against 12 inflammatory proteins. Our molecular dynamic simulation study (200 ns) confirmed that bioactive syringin remained inside the binding cavity of inflammatory proteins (JAK1, TYK2, and COX1) in a stable conformation. Further, our co-expression analysis suggests that these genes play an essential role in multiple pathways and are regulated by multiple miRNAs. Our study demonstrates that bioactive glycoside syringin might be a multi-protein targeting potential against inflammatory diseases and could be further investigated utilizing different preclinical approaches. Communicated by Ramaswamy H. Sarma. © 2023 Informa UK Limited, trading as Taylor & Francis Group.
Untargeted Metabolomics and Bioactivities Assessment of Xylaria ellisii, an Endophytic Fungus Isolated from the Leaf of the Plant Acorus calamus Linn.
(Bentham Science Publishers, 2025) Chandrabhan Prajapati; Sachchida Nand Rai; Anurag Kumar Singh; Naina Rajak; Neha Garg; Santosh Kumar Singh
Introduction: Fungal endophytes have mutualistic associations with the plant's host, communicating through genetic and metabolic processes. As a result, they gain the ability to generate therapeutically effective metabolites and their derivatives. Methods: The current study aims to assess antioxidant potential along with the identification of robust metabolites within the crude extract of a potent endophytic fungus Xylaria ellisii isolated from leaf tissues of the Acorus calamus Linn. plant. Four endophytic fungi were obtained from leaf tissues of Acorus calamus Linn., and identified morphologically and molecularly as distinct species. Each ethyl acetate extract of the isolated fungi exhibited a unique chemical profile in the HPTLC fingerprint at various wavelengths. The ethyl acetate (EA) extract from the fungal strain ACL-4 (Xylaria ellisii) demonstrated the strongest antioxidant activity among the four fungal endophytes examined, with an EC50 value of 292.64 ± 3.558 µg/mL. Remarkably, fungal endophyte ACL-4 extract exhibited superior antimicrobial activity at the less concentrations compared to ACL-ME extract of leaf crude. Results: The extract of ACL-ME-treated HEK 293T cells exhibited significant toxicity, with an IC50 value of 1481.74 ± 23.772 µg/mL, compared to fungal strain ACL-4-treated HEK 293T cells, which had an IC50 value greater than 2000 µg/mL. Consequently, the crude extract of ACL-4 and ACL-ME along with the standard drug methotrexate exhibited cytotoxic activity against cancer cell line MDA-MB-231 with IC50 concentrations of 146.65 ± 0.394 µg/mL, 528.46 ± 10.912 µg/mL, and 134.11 ± 3.446 µg/mL, respectively. A total of 2,255 compounds were detected through LC-HRMS-based metabolomics in the crude metabolites of Xylaria ellisii, with certain compounds identified in multiple instances. Among this repertoire, 62 robust bioactive compounds were identified through meticulous screening, guided by existing literature. Comparative HPTLC fingerprint analysis, along with antioxidant efficacy assays of ethyl acetate extracts of Xylaria ellisii derived from Acorus calamus leaves and Cassia fistula twigs revealed the host-specific production of bioactive chemicals. Conclusion: The top-scoring Keap1 inhibitors derived from Xylaria ellisii, including Pregabalin (-6.083 Kcal/mol), Ferulic acid (-5.434 Kcal/mol), (R)-Piperidine-2-carboxylic acid (-5.31 Kcal/mol), Genipin (-5.197 Kcal/mol), and Brivaracetam (-5.17 Kcal/mol), respectively were considered as Keap 1 inhibitors, potentially mitigate oxidative stress. © 2025 Bentham Science Publishers.