Reverse Translational Approach in Repurposing of Drugs for Anticancer Therapy

Aggarwal, Geeta; Musyuni, Pankaj; Mangla, Bharti; Goyal, Ramesh K.

doi:10.1007/978-981-19-5399-6_14

Cited by 2 publications

(2 citation statements)

References 70 publications

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“…i.Data preparation: A database of molecules is created. This database can be either commercial or inhouse [16,17]. The molecules in the database are typically charac-terized by their shape, chemical properties, and other information.…”

Section: Lbvs Involves the Following Stepsmentioning

confidence: 99%

Ligand Based Virtual Screening Testing and Analysis for Plasmodium Falciparum

Sanjeev Sharma

2023

IJSREM

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Malaria, caused by the parasite Plasmodium falciparum, continues to pose a significant global health challenge, with drug resistance and limited treatment options exacerbating the problem. Ligand-Based Virtual Screening (LBVS) has emerged as a promising computational tool for identifying potential drug candidates. This research focuses on the application of LBVS to target essential proteins within Plasmodium falciparum and identify small molecules with inhibitory potential. A diverse dataset of ligands and advanced computational algorithms were employed to predict binding affinities and screen compounds for potential antimalarial activity. LBVS is a computational method used to identify potential drug candidates by screening large databases of molecules for those that have a high similarity to known active molecules. This is done by calculating the shape and chemical properties of the molecules and comparing them to the known active molecules. Malaria is a mosquito-borne disease caused by the parasite Plasmodium falciparum. It isa major public health problem, especially in tropical and subtropical regions. LBVS can be used to accelerate the drug discovery process by identifying potential drug candidatesmore quickly and efficiently. Keywords: LBVS, Plasmodium Falciparum, DHFR, Anti-malarial compound, Protein target.

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Section: Lbvs Involves the Following Stepsmentioning

confidence: 99%

Ligand Based Virtual Screening Testing and Analysis for Plasmodium Falciparum

Sanjeev Sharma

2023

IJSREM

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“…The concept of Structure-Activity Relationship (SAR) analysis has gained prominence as a valuable tool in the design and development of novel compounds with enhanced antimalarial efficacy. SAR analysis entails the systematic examination of chemical structures and their corresponding biological activities, offering insights into the molecular interactions that underlie the effectiveness of drug compounds [2][3]. This research paper embarks on an exploration of SAR analysis in the context of combating drug-resistant P. falciparum strains.…”

mentioning

confidence: 99%

Structure-Activity Relationship Analysis of Novel Compounds Against Drug-Resistant Plasmodium Falciparum Strains

Anshul,

Sharma,

Kumar

2023

IJSREM

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The escalating issue of drug-resistant Plasmodium falciparum strains poses a significant challenge to malaria treatment. This research paper presents a comprehensive analysis of the Structure-Activity Relationship (SAR) of innovative compounds designed to combat drug-resistant malaria. Through systematic examination of the chemical structures and their biological activity, we aim to identify potential drug candidates that can effectively address this global health concern. Our study contributes to the ongoing efforts in antimalarial drug development, offering insights into the design of novel compounds that may prove instrumental in countering drug resistance among Plasmodium falciparum strains and improving the efficacy of malaria treatment strategies. Keywords: Plasmodium falciparum, Antimalarial Compounds, Drug Resistance, Chemical Structure Analysis, Novel Compounds

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Reverse Translational Approach in Repurposing of Drugs for Anticancer Therapy

Cited by 2 publications

References 70 publications

Ligand Based Virtual Screening Testing and Analysis for Plasmodium Falciparum

Ligand Based Virtual Screening Testing and Analysis for Plasmodium Falciparum

Structure-Activity Relationship Analysis of Novel Compounds Against Drug-Resistant Plasmodium Falciparum Strains

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