Search Results - "Perveen, Mehvish"
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DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan: an anticancer drug
Published in Journal of molecular modeling (01-11-2022)“…In the present research, the drug-delivery efficiency of graphitic carbon nitride (g-CN) for melphalan (an anti-cancer drug) was evaluated. To investigate the…”
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Computational study of therapeutic potential of phosphorene as a nano-carrier for drug delivery of nebivolol for the prohibition of cardiovascular diseases: a DFT study
Published in Journal of molecular modeling (01-10-2021)“…Density functional theory (DFT) calculations were utilized to assess the drug delivery efficiency of phosphorene carrier for nebivolol drug to treat…”
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Drug delivery of carvedilol (cardiovascular drug) using phosphorene as a drug carrier: a DFT study
Published in Journal of Taibah University for Science (31-12-2022)“…2D nanomaterial phosphorene is a chemistically stable, biocompatible, and biodegradable drug delivery platform. This study investigates the drug loading…”
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Therapeutic potential of graphyne as a new drug-delivery system for daunorubicin to treat cancer: A DFT study
Published in Journal of molecular liquids (15-08-2021)“…•Graphyne is explored as a carrier for daunorubicin drug.•Graphyne possess significant therapeutic potential as a drug carrier.•For visual explanation of…”
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DFT study of therapeutic potential of graphitic carbon nitride (g-C3N4) as a new drug delivery system for carboplatin to treat cancer
Published in Journal of molecular liquids (01-06-2021)“…DFT studies were performed to evaluate the chemotherapeutic potential of g-C3N4 as a drug carrier for carboplatin in cancer treatment. The optimized,…”
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Therapeutic potential of graphitic carbon nitride as a drug delivery system for cisplatin (anticancer drug): A DFT approach
Published in Biophysical chemistry (01-12-2020)“…In the current study, for the first time; the drug loading efficacy of graphitic‑carbon nitride (g-C3N4) for an anticancer drug, cisplatin was evaluated. To…”
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A DFT approach for finding therapeutic potential of two dimensional (2D) graphitic carbon nitride (GCN) as a drug delivery carrier for curcumin to treat cardiovascular diseases
Published in Journal of molecular structure (05-06-2022)“…•Graphitic carbon nitride (GCN) is explored as a drug carrier.•GCN possess significant therapeutic potential as a drug carrier.•The absorption of curcumin drug…”
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A DFT approach for finding therapeutic potential of graphyne as a nanocarrier in the doxorubicin drug delivery to treat cancer
Published in Journal of molecular graphics & modelling (01-11-2023)“…In the present work, the drug-loading efficacy of graphyne (GYN) for doxorubicin (DOX) drug is investigated for the first time by using density functional…”
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Computational and theoretical study of graphitic carbon nitride (g-C3N4) as a drug delivery carrier for lonidamine drug to treat cancer
Published in Computational and theoretical chemistry (01-12-2021)“…[Display omitted] •Graphitic carbon nitride is explored as a carrier for lonidamine drug.•NCI plot illustrated that weak forces are present between lonidamine…”
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DFT study of 2D graphitic carbon nitride based preferential targeted delivery of levosimendan, a cardiovascular drug
Published in Computational and theoretical chemistry (01-03-2022)“…[Display omitted] •Potential of g-C3N4 as a nanocarrier for preferential targeted drug delivery.•DFT studies of NBO for inter/intra-molecular charge transfer…”
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A DFT approach towards therapeutic potential of phosphorene as a novel carrier for the delivery of felodipine (cardiovascular drug)
Published in Computational and theoretical chemistry (01-06-2022)“…[Display omitted] •Therapeutic potential of phosphorene as a drug delivery carrier is investigated.•DFT calculations of interaction mechanism of felodipine…”
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Controlled supramolecular interactions for targeted release of Amiodarone drug through Graphyne to treat cardiovascular diseases: An in silico study
Published in Journal of molecular graphics & modelling (01-06-2023)“…In the current study, the drug loading ability of graphyne (GY) for the amiodarone (AMD) drug is investigated for the first time. The efficacy of GY as a…”
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Functional venomics of the Big-4 snakes of Pakistan
Published in Toxicon (Oxford) (01-05-2020)“…In South Asia, the “Big-4” venomous snakes Naja naja, Bungarus caeruleus, Daboia russelii, and Echis carinatus are so-called because they are the most…”
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