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In silico screening and molecular docking study of selected amaryllidaceae alkaloids as potential inhibitors of SARS-COV-2 RNA-Dependent RNA Polymerase (RDRP) / John Christian C. De Guzman. 6

By: John Christian C. De Guzman. 4 0 16, [, ] | [, ] |

Contributor(s): 5 6 [] |

Language: Unknown language code Summary language: Unknown language code Original language: Unknown language code Series: ; June 2022.46Edition: Description: 28 cm. 102 ppContent type: text Media type: unmediated Carrier type: volumeISBN: ISSN: 2Other title: 6 []Uniform titles: | | Related works: 1 40 6 []Subject(s): -- 2 -- 0 -- -- | -- 2 -- 0 -- 6 -- | 2 0 -- | -- -- 20 -- | | -- -- -- -- 20 -- | -- -- -- 20 -- --Genre/Form: -- 2 -- Additional physical formats: DDC classification: | LOC classification: | | 2Other classification:

Contents:

Action note: In: Summary: ABSTRACT: The SARS-Cov-2 RNA dependent RNA polymerase (RdRp) is the viral protein responsible for magnifying the genetic material of SARS-CoV-2, the causative agent of COVID19. Current treatment options against SARS-CoV-2 include nucleoside analog inhibitors directly interfering with the polymerase action. The nucleoside analogs pose the risk of drug resistance in long-term use. An In Silico screening and molecular docking methodology is employed in this study to examine alkaloids from the Amaryllidaceae plant family as non-nucleoside analog inhibitors of the RdRp and possess good drug-like properties and toxicity. The study identifies crinasiatine, narciprimine, pseudolycorine, lycoricidine, narciclasine, and cis-dihydronarciclasine as hit compounds against the viral protein with binding energies of -7.7, -7.4, -7.3, -7-2, and -7.1 Kcal/mol respectively. Further ADMET screening of the six hit-compounds identified lycoricidine, narciclasine, and cis-dihydronarciclasine as lead compounds with the most potential for further drug development. Other editions:

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Item type	Current location	Home library	Collection	Call number	Status	Date due	Barcode	Item holds
Book	PLM	PLM Filipiniana Section	Filipiniana-Thesis	T QD60.D44.2022 (Browse shelf)	Available		FT7670

Total holds: 0

Thesis: (Bachelor of Science in Chemistry) - Pamantasan ng Lungsod ng Maynila, 2022. 56

ABSTRACT: The SARS-Cov-2 RNA dependent RNA polymerase (RdRp) is the viral protein responsible for magnifying the genetic material of SARS-CoV-2, the causative agent of COVID19. Current treatment options against SARS-CoV-2 include nucleoside analog inhibitors directly interfering with the polymerase action. The nucleoside analogs pose the risk of drug resistance in long-term use. An In Silico screening and molecular docking methodology is employed in this study to examine alkaloids from the Amaryllidaceae plant family as non-nucleoside analog inhibitors of the RdRp and possess good drug-like properties and toxicity. The study identifies crinasiatine, narciprimine, pseudolycorine, lycoricidine, narciclasine, and cis-dihydronarciclasine as hit compounds against the viral protein with binding energies of -7.7, -7.4, -7.3, -7-2, and -7.1 Kcal/mol respectively. Further ADMET screening of the six hit-compounds identified lycoricidine, narciclasine, and cis-dihydronarciclasine as lead compounds with the most potential for further drug development.

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