Browsing by Author "Vipendra Kumar Singh"

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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 the recognition behavior of a fluorescein-based probe towards the significant detection of Cu2+ and Zn2+ ions: Experimental and computational studies
(Elsevier B.V., 2025) Navneet Kumar; Pawan Kumar Sada; Amit Kumar Kundan; Amit Bar; Amanpreet Kaur Jassal; Surya Prakash Rai; Vipendra Kumar Singh; Neha Garg; Alok Kumar Singh; Ankit Kumar Singh; Sumit Mohan Kumar; Laxman Singh; Abhishek Rai
A new fluorescein hydrazone (FA1) has been synthesized employing fluorescein hydrazide and 3,5-diiodosalicylaldehyde and its complete physiochemical characterization have been carried out. A single crystal XRD studies of FA1 has been performed. Among the tested metal ions FA1 significantly detects Cu2+ and Zn2+ in EtOH/H2O (8:2, v/v)). There is an emergence of a new absorbance peak at λmax 431 nm with Cu2+ ions. A “turn-on” behavior in fluorescence at λem510 nm was observed with Zn2+ ions owing to chelation enhanced fluorescence. This act of spectrophotometric changes and naked eye color variation from colorless to yellow is because of coordination with the metal ions rather than most common opening of spirolactum ring. FA1-Cu2+ and FA1-Zn2+ensembles display reversible behavior with EDTA2− ions. In a study on latent fingerprint detection using powder compounds, it was found that FA1 and FA1–Zn2+ showed excellent adherence to finger ridges and produced clear features without any background stains. The Hirshfeld surface and fingerprint analysis of FA1 offer a detailed examination of pairwise interactions between atoms. Additionally, topological analysis of FA1 has been conducted using NCI, AIM, ELF, and LOL methodologies. Alamar assay of FA1 on HEK-293 cell lines exhibited biocompatibility with minimal cytotoxicity. Hence, they were effectively applied for live cell imaging for intracellular sensing of Cu2+ and Zn2+ in HEK-293 cells. © 2025 Elsevier B.V.
Exploring the role of pomalidomide in androgen-dependent prostate cancer: a computational analysis
(Springer Nature, 2025) Shivani Pathak; Vipendra Kumar Singh; Prashant Kumar Gupta; Arun Kumar Mahapatra; Rajanish Giri; Rashmi Sahu; Rohit Sharma; Neha Garg
Prostate cancer (PC) is among the most prevalent cancers in males. It is the leading cause of death in men, in around 48 out of 185 countries. Increased androgen receptor (AR) activity is the key factor contributing to the development or progression of newly diagnosed cases of prostate cancer. Over time, numerous compounds targeting AR have been identified, presenting encouraging avenues for suppressing its hyperactivity. In our investigation, we used the GEPIA tool to study the importance of AR in the context of prostate cancer. This tool integrates the data from TCGA and GTEx in the gene expression pattern analysis and their clinical relevance. This analysis evaluates overall survival, disease-free survival, and transcripts per million (TPM) analysis of AR in PC. We performed docking and simulation for FDA-approved anticancer drugs to assess their potential interactions with the AR. We also conducted a comprehensive analysis of drugs using a quantum calculation (DFT) which provides electronic properties, chemical reactivity, and stability using the HOMO–LUMO energy gap. This study suggests that repurposed synthetic anticancer drugs could be better options for treating prostate cancer by inhibiting AR. In this work, we have shown the potential of pomalidomide, a synthetic anticancer drug, as a potential candidate for androgen-dependent PC treatment. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.
Exploring the role of pomalidomide in androgen-dependent prostate cancer: a computational analysis
(Springer Nature, 2024) Shivani Pathak; Vipendra Kumar Singh; Prashant Kumar Gupta; Arun Kumar Mahapatra; Rajanish Giri; Rashmi Sahu; Rohit Sharma; Neha Garg
Prostate cancer (PC) is among the most prevalent cancers in males. It is the leading cause of death in men, in around 48 out of 185 countries. Increased androgen receptor (AR) activity is the key factor contributing to the development or progression of newly diagnosed cases of prostate cancer. Over time, numerous compounds targeting AR have been identified, presenting encouraging avenues for suppressing its hyperactivity. In our investigation, we used the GEPIA tool to study the importance of AR in the context of prostate cancer. This tool integrates the data from TCGA and GTEx in the gene expression pattern analysis and their clinical relevance. This analysis evaluates overall survival, disease-free survival, and transcripts per million (TPM) analysis of AR in PC. We performed docking and simulation for FDA-approved anticancer drugs to assess their potential interactions with the AR. We also conducted a comprehensive analysis of drugs using a quantum calculation (DFT) which provides electronic properties, chemical reactivity, and stability using the HOMO–LUMO energy gap. This study suggests that repurposed synthetic anticancer drugs could be better options for treating prostate cancer by inhibiting AR. In this work, we have shown the potential of pomalidomide, a synthetic anticancer drug, as a potential candidate for androgen-dependent PC treatment. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 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.
Intratumoral Heterogeneity, Chemoresistance and Lymph Node Landing Zone Prognosis in Testicular Tumors Based on Histopathological Characteristics
(Springer Science and Business Media Deutschland GmbH, 2024) Yashasvi Singh; Sasanka Kumar Barua; Vipendra Kumar Singh; Sameer Trivedi; T.P. Rajeev; Sridhar Reddy Koti; Neha Garg
Background: Existing data on the histopathological correlation of testicular tumors with lymph node prognosis have been poorly explored. We aimed to investigate the relationship of the histopathological properties of testicular tumors with lymph nodes and their involvement with chemoresistance and heterogeneity of testicular tumors. Methods: Patients with non-seminomatous germ cell tumor (NSGCT) were selected for histopathological correlation of testicular tumor with lymph nodes and its relationship with chemoresistance and heterogeneity. Histopathological and radiological parameters associated with the risk of chemoresistance and tumor progression were measured pre- and post-chemotherapy. Binomial logistic regression and Kaplan–Meier analysis were implemented to determine the predictors of progression and adverse overall patient survival. All categorical variables were analyzed using the Chi-square test, while Pearson’s R coefficient determined the correlation. Results: Male patients who were diagnosed with NSGCT from March 2017 to December 2018 at Guwahati Medical College, Guwahati, India, were included in this study. Lymph node groups were predominantly incriminated with the EYST or EYS groups and minimally linked with the pure E and YCS groups. Furthermore, the highest number of lymph node stations was associated with pre-chemotherapy. In salvage chemotherapy in the form of VIP, we found exciting outcomes, as approximately 41% of cases responded positively, especially in the EYS group. Conclusion: Our study classifies NSGCT according to the most favorable histopathological grouping and explores the tumoral response in different intrinsic and extrinsic variables. Our analysis can serve as a triumphant histopathological nomogram for a sublime management protocol to deal with the onerous histological pairing in NSGCT. © Society of Surgical Oncology 2024.
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]
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.
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.