Search Results - "Rawal, Rakesh M."
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Curcumin interferes with chitin synthesis in Aedes aegypti: a computational and experimental investigation
Published in Molecular diversity (01-06-2024)“…Throughout history, vector-borne diseases have consistently posed significant challenges to human health. Among the strategies for vector control, chemical…”
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A novel algorithm to differentiate between primary lung tumors and distant liver metastasis in lung cancers using an exosome based multi gene biomarker panel
Published in Scientific reports (14-06-2024)“…The lack of non-invasive methods for detection of early metastasis is a crucial reason for the poor prognosis of lung cancer (LC) liver metastasis (LM)…”
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Extending the lore of curcumin as dipteran Butyrylcholine esterase (BChE) inhibitor: A holistic molecular interplay assessment
Published in PloS one (26-05-2022)“…Since its origin, the emergence of vector-borne infections has taken a toll on incalculable human lives. The use of chemical insecticides is one of the early…”
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Molecular insights on ar-turmerone as a structural, functional and pharmacophoric analogue of synthetic mosquito repellent DEET by comprehensive computational assessment
Published in Scientific reports (16-09-2022)“…Mosquitoes are vectors for a variety of infectious illnesses, and chemical synthetic insecticides have made it possible to control them effectively. Mosquito…”
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Revealing the molecular interplay of curcumin as Culex pipiens Acetylcholine esterase 1 (AChE1) inhibitor
Published in Scientific reports (01-09-2021)“…Emergence of vector borne diseases has continued to take toll on millions of lives since its inception. The use of insecticides began as vector control…”
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6
Computational approaches screening DNA aptamers against conserved outer membrane protein W of Vibrio cholerae O1- an investigation expanding the potential for point-of-care detection with aptasensors
Published in Journal of biomolecular structure & dynamics (2023)“…Foodborne outbreaks urge public health domain to upgrade diagnosis by means of simpler, quicker, and more affordable pathogen detection methods. A molecular…”
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Integrated blood and organ profile analysis to evaluate ameliorative effects of kaempferol on 5-fluorouracil-induced toxicity
Published in Scientific reports (29-01-2024)“…Colorectal cancer (CRC) treatment strategies encompass a triad of medical interventions: surgery, radiotherapy, and chemotherapy. Among these, the use of…”
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Pinpointing top inhibitors for GSK3β from pool of indirubin derivatives using rigorous computational workflow and their validation using molecular dynamics (MD) simulations
Published in Scientific reports (02-01-2024)“…Glycogen synthase kinase-3β (GSK3β) is a pivotal protein kinase implicated in a spectrum of debilitating diseases, encompassing cancer, diabetes, and…”
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Integrated computational screening and liquid biopsy approach to uncover the role of biomarkers for oral cancer lymph node metastasis
Published in Scientific reports (28-08-2023)“…Cancer is an abnormal, heterogeneous growth of cells with the ability to invade surrounding tissue and even distant organs. Worldwide, GLOBOCAN had an…”
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Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations
Published in Scientific reports (13-10-2021)“…Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19), poses a great challenge to the public health care system. Among other druggable…”
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A multi-gene expression profile panel for predicting liver metastasis: An algorithmic approach
Published in PloS one (01-11-2018)“…Liver metastasis has been found to affect outcome in prostate, pancreatic and colorectal cancers, but its role in lung cancer is unclear. The 5 year survival…”
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12
Prenatal opioid exposure significantly impacts placental protein kinase C (PKC) and drug transporters, leading to drug resistance and neonatal opioid withdrawal syndrome
Published in Frontiers in neuroscience (19-08-2024)“…Neonatal Opioid Withdrawal Syndrome (NOWS) is a consequence of in-utero exposure to prenatal maternal opioids, resulting in the manifestation of symptoms like…”
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Placental cytochrome P450 methylomes in infants exposed to prenatal opioids: exploring the effects of neonatal opioid withdrawal syndrome on health horizons
Published in Frontiers in genetics (04-01-2024)“…Neonatal opioid withdrawal syndrome (NOWS), arises due to increased opioid use during pregnancy. Cytochrome P450 (CYP) enzymes play a pivotal role in…”
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Endophytic fungi: A treasure trove of novel anticancer compounds
Published in Current research in pharmacology and drug discovery (01-01-2021)“…Cancer is a multifactorial disease with a convoluted genesis and progression. The emergence of multidrug resistance to presently be offered drug and relapse is…”
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A predictive biomarker panel for bone metastases: Liquid biopsy approach
Published in Journal of bone oncology (01-08-2021)“…•Data mining of published microarray datasets directed us to the identification of a multi gene panel involving of 15 genes (HSP90AA1, PTK2, SHC1, YWHAZ,…”
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Green Synthesis and Anticancer Potential of 1,4-Dihydropyridines-Based Triazole Derivatives: In Silico and In Vitro Study
Published in Life (Basel, Switzerland) (31-03-2022)“…A library of 1,4-dihydropyridine-based 1,2,3-triazol derivatives has been designed, synthesized, and evaluated their cytotoxic potential on colorectal…”
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Reckoning a fungal metabolite, Pyranonigrin A as a potential Main protease (Mpro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation
Published in Biophysical chemistry (01-09-2020)“…The novel SARS-CoV-2 is the etiological agent causing the Coronavirus disease 2019 (COVID-19), which continues to become an inevitable pandemic outbreak. Over…”
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Identification of hub genes associated with prognosis of lung cancer via integrated bioinformatics and in vitro approach
Published in Journal of biomolecular structure & dynamics (21-12-2023)“…Lung cancer is a severe health problem that affects more men than women around the world. The goal of this study was to identify the biomarker hub genes for…”
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Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and binding free energy calculation
Published in Computers in biology and medicine (01-08-2021)“…The disease outbreak of Coronavirus disease-19 (COVID-19), caused by the novel SARS-CoV-2 virus, remains a public health concern. COVID-19 is spreading rapidly…”
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Interactive bioinformatics analysis for the screening of hub genes and molecular docking of phytochemicals present in kitchen spices to inhibit CDK1 in cervical cancer
Published in Computers in biology and medicine (01-10-2022)“…Cervical cancer (CC) is the world's fourth most prevalent cancer among women. The mortality rate of cervical cancer increases each year due to a lack of early…”
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