In silico study of chalcone reductase from diverse fabaceae family of pakistan

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dc.contributor.authorKAMISHKA IFTIKHAR
dc.date.accessioned2025-11-21T22:38:11Z
dc.date.available2025-11-21T22:38:11Z
dc.date.issued2024-07-04
dc.description.abstractFlavonoids are the chemicals abundantly present in different types of plants. They are classified into various subgroups including flavones, flavanones, flavanonols, or catechins, anthocyanins, and chalcones. Among these subgroups flavanones are further classified in different classes such as, naringenin, pinocembrin, liquiritigenin, Isoliquiritigenin, Isosakuranetin and kaempferol. The production of flavanones are occurred by enzymes such as, phenylalanine ammonia lyase, tyrosine ammonia lyase, chalcones synthase, chalcones reductase and chalcone isomerase. An abundance of chalcone is found in plants of Fabaceae family including Glycine max, Glycine soja, Vigna radiata, Pisum sativum and Medicago sativa. In this research study, Fabaceae family species were screened and identified different types of chalcone reductase. Fabaceae family have 19000 different species worldwide, among them 60 species have chalcone reductase which were identified from different literature and databases. In our research study, KEGG and UniProt annotations will be used to collect the amino acid sequences of various plants of fabaceae family. The Molecular Evolutionary Genetics Analysis (MEGA) software is designed for comparative analysis of homologous gene sequences either from multigene families or from different species with a special emphasis on inferring evolutionary relationships. In our research work, we screened 60 CHR among diverse plants by constructing phylogenetic tree with the help of Mega software, 25 out of 60 closely linked isomers of CHR which make close relationship with other species were selected and create their phylogenetic trees. Next, we used Swiss-model for protein structure prediction through homology modeling. As a result, detailed 3D structures were generated of all screened 25 CHR which were further used for docking process. ClusPro was used for uninterrupted docking of protein sequences. In our research work, Different models were screened on the basis of their member of interaction. When M. sativa isomer of Chalcone synthase (CHS) and A. precatorius isomer of CHR interacted with each other 11 different models were obtained having diverse members. Model which has highest number of members (106) was selected and further used for the interaction between ligands and their protein interaction. LigPlot was used to investigate the complex interactions between Chalcone reductase (CHR) proteins and their binding partners CHS. The interaction between ligands clearly demonstrates the interaction between amino acids like, M. truncatula isomer of CHS was interacted with the ligand M. sativa isomer of Chalcone reductase (CHR). The interaction between these ligands clearly demonstrates the interactions between amino acids like, Met137 interacted with Lys5; Asp13 with Lys5; Tyr71 with Ser5; Glu101 with Ser5; Asp96 with Ser4. More stable interactions can be observed among Asp96 with Ser4 and Asp13 with Lys5 on the basis of their short bonding distance. The interaction between ligands clearly demonstrates the interaction between amino acids like, M. sativa isomer of CHS was interacted with ligand A. precatorius isomer of CHR. The interaction between these ligands clearly demonstrated the interaction between amino acids like, Asp92 interacted with Lys30 and Gly31; Arg104 with Tyr161; Arg107 with Tyr161 and His163; Leu148 with His163; Glu75 with Lys102 and Arg105; Asp96 with Gln34; and Asp96 with Ser38 of Chalcone reductase (CHR) and CHS respectively More stable interactions can be observed between Asp92 with Gly31 and Lys107 with His163 on the basis of short bonding distance more than one interaction. In conclusion, we obtained by ligand interaction CHR and CHS such as A. precatorius isomer 1 with M. sativa isomer 3, M. truncatula isomer 4 with M. truncatula isomer 8, G. max isomer 7 with M. sativa isomer 2 and M. truncatula isomer 2 with M. truncatula isomer 8. We can use the CHR and CHS genes from these plants in stain technology and metabolic engineering.
dc.identifier.urihttps://escholar.umt.edu.pk/handle/123456789/11676
dc.language.isoen
dc.publisherUMT, Lhr
dc.titleIn silico study of chalcone reductase from diverse fabaceae family of pakistan
dc.typeThesis
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