Investigation of the Role of Hydrophobic Amino Acids on the Structure–Activity Relationship in the Antimicrobial Venom Peptide Ponericin L1

2021 ◽  
Author(s):  
Nicholas P. Schifano ◽  
Gregory A. Caputo
Keyword(s):  
Amino Acids ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Venom Peptide ◽  
Hydrophobic Amino Acids

Isolation of Natural Compounds from Syzygium densiflorum Fruits and Exploring its Chemical Property, Therapeutic Role in Diabetic Management

2020 ◽  
Vol 10 (2) ◽  
pp. 168-176
Author(s):  
Krishnasamy Gopinath ◽  
Nagarajan Subbiah ◽  
Muthusamy Karthikeyan
Keyword(s):  
Density Functional ◽  
Chemical Reactivity ◽  
Natural Compounds ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Computational Studies ◽  
Therapeutic Role ◽  
Relationship Analysis ◽  
Structure Activity

Background: Syzygium densiflorum Wall. ex Wight & Arn (Myrtaceae) has been traditionally used by the local tribes of the Nilgiris, Tamil Nadu, India, for the treatment of diabetes. Objective: This study aimed to isolate the major phytoconstituents from the S. densiflorum fruits and to perform computational studies for chemical reactivity and biological activity of the isolated compound. Materials and Methods: Two different compounds were isolated from ethanolic extract of S. densiflorum fruits and purified using HPLC. The structures of the compounds were elucidated on the basis of their 1H NMR, 13C NMR, 1H-1H COSY, HMBC, HRESIMS, and FT-IR data. Further, the chemical reactivity of the compounds was analyzed by density functional theory calculations and its therapeutic role in diabetic management was examined by comparing the structure of isolated compounds with previously reported bioactive compounds. Results: Of the two compounds ((6,6 & 1-kestopentaose (1) and 6-(hydroxymethyl)-3-[3,4,5- trihydroxy- 6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol)(2)). β-glucosidase, β-galactosidase, α-glucosidase and β-amylase inhibition activity of the compounds were predicted by structure activity relationship. Conclusion: Structure-activity relationship analysis was performed to predict the therapeutic role of isolated compounds. These computational studies may be performed to minimize the efforts to determine the therapeutic role of natural compounds.

scholarly journals Structure–Activity Relationships (SARs) of α-Ketothioamides as Inhibitors of Phosphoglycerate Dehydrogenase (PHGDH)

2020 ◽  
Vol 13 (2) ◽  
pp. 20
Author(s):  
Quentin Spillier ◽  
Séverine Ravez ◽  
Judith Unterlass ◽  
Cyril Corbet ◽  
Charline Degavre ◽  
...  
Keyword(s):  
Cancer Progression ◽  
Structure Activity Relationship ◽  
Therapeutic Agents ◽  
Activity Relationship ◽  
Cancer Treatments ◽  
Promising Strategy ◽  
Structure Activity ◽  
Phosphoglycerate Dehydrogenase ◽  
Relationship Study

For many years now, targeting deregulation within cancer cells’ metabolism has appeared as a promising strategy for the development of more specific and efficient cancer treatments. Recently, numerous reports highlighted the crucial role of the serine synthetic pathway, and particularly of the phosphoglycerate dehydrogenase (PHGDH), the first enzyme of the pathway, to sustain cancer progression. Yet, because of very weak potencies usually in cell-based settings, the inhibitors reported so far failed to lay ground on the potential of this approach. In this paper, we report a structure–activity relationship study of a series of α-ketothioamides that we have recently identified. Interestingly, this study led to a deeper understanding of the structure–activity relationship (SAR) in this series and to the identification of new PHGDH inhibitors. The activity of the more potent compounds was confirmed by cellular thermal shift assays and in cell-based experiments. We hope that this research will eventually provide a new entry point, based on this promising chemical scaffold, for the development of therapeutic agents targeting PHGDH.

Structure–activity relationship study on new hemorphin-4 analogues containing steric restricted amino acids moiety for evaluation of their anticonvulsant activity

Amino Acids ◽  
2020 ◽  
Vol 52 (10) ◽  
pp. 1375-1390
Author(s):  
Petar Todorov ◽  
Petia Peneva ◽  
Jana Tchekalarova ◽  
Stela Georgieva ◽  
Miroslav Rangelov ◽  
...  
Keyword(s):  
Amino Acids ◽  
Anticonvulsant Activity ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Structure Activity ◽  
Relationship Study ◽  
Restricted Amino Acids

Structure-activity relationship analyses of fusidic acid derivatives highlight crucial role of the C-21 carboxylic acid moiety to its anti-mycobacterial activity

2020 ◽  
Vol 28 (13) ◽  
pp. 115530
Author(s):  
Kawaljit Singh ◽  
Gurminder Kaur ◽  
Petrus Siningu Shanika ◽  
Godwin Akpeko Dziwornu ◽  
John Okombo ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Fusidic Acid ◽  
Crucial Role ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Acid Moiety ◽  
Structure Activity
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