Renin inhibitors based on novel dipeptide analogs. Incorporation of the dehydrohydroxyethylene isostere at the scissile bond

1987 ◽  
Vol 30 (11) ◽  
pp. 1978-1983 ◽  
Author(s):  
Dale J. Kempf ◽  
Ed De Lara ◽  
Herman H. Stein ◽  
Jerome Cohen ◽  
Jacob J. Plattner
Keyword(s):  
Renin Inhibitors ◽  
Scissile Bond

Renin inhibitors. Synthesis of transition-state analog inhibitors containing phosphorus acid derivatives at the scissile bond

1989 ◽  
Vol 32 (7) ◽  
pp. 1652-1661 ◽  
Author(s):  
Mark C. Allen ◽  
Walter Fuhrer ◽  
Brian Tuck ◽  
Roy Wade ◽  
Jeanette M. Wood
Keyword(s):  
Transition State ◽  
Phosphorus Acid ◽  
Transition State Analog ◽  
Renin Inhibitors ◽  
Scissile Bond

Renin inhibitors. Dipeptide analogs of angiotensinogen utilizing a dihydroxyethylene transition-state mimic at the scissile bond to impart greater inhibitory potency

1988 ◽  
Vol 31 (12) ◽  
pp. 2264-2276 ◽  
Author(s):  
Jay R. Luly ◽  
Nwe BaMaung ◽  
Jeff Soderquist ◽  
Anthony K. L. Fung ◽  
Herman Stein ◽  
...  
Keyword(s):  
Transition State ◽  
Inhibitory Potency ◽  
Renin Inhibitors ◽  
Scissile Bond

Renin inhibitors. Dipeptide analogs of angiotensinogen incorporating transition-state, nonpeptidic replacements at the scissile bond

1987 ◽  
Vol 30 (10) ◽  
pp. 1729-1737 ◽  
Author(s):  
Giorgio Bolis ◽  
Anthony K. L. Fung ◽  
Jonathan Greer ◽  
Hollis D. Kleinert ◽  
Patrick A. Marcotte ◽  
...  
Keyword(s):  
Transition State ◽  
Renin Inhibitors ◽  
Scissile Bond

Drug repurposing using similarity-based target prediction, docking studies and scaffold hopping of lefamulin

2020 ◽  
Vol 17 ◽  
Author(s):  
Shikha Sharma ◽  
Shweta Sharma ◽  
Vaishali Pathak ◽  
Parwinder Kaur ◽  
Rajesh Kumar Singh
Keyword(s):  
In Silico ◽  
Target Prediction ◽  
Drug Repurposing ◽  
Docking Studies ◽  
Target Protein ◽  
Future Perspective ◽  
Antibacterial Drug ◽  
Scaffold Hopping ◽  
Target Proteins ◽  
Renin Inhibitors

Aim: To investigate and validate the potential target proteins for drug repurposing of newly FDA approved antibacterial drug. Background: Drug repurposing is the process of assigning indications for drugs other than the one(s) that they were initially developed for. Discovery of entirely new indications from already approved drugs is highly lucrative as it minimizes the pipeline of the drug development process by reducing time and cost. In silico driven technologies made it possible to analyze molecules for different target proteins which are not yet explored. Objective: To analyze possible targets proteins for drug repurposing of lefamulin and their validation. Also, in silico prediction of novel scaffolds from lefamulin has been performed for assisting medicinal chemists in future drug design. Methods: A similarity-based prediction tool was employed for predicting target protein and further investigated using docking studies on PDB ID: 2V16. Besides, various in silico tools were employed for prediction of novel scaffolds from lefamulin using scaffold hopping technique followed by evaluation with various in silico parameters viz., ADME, synthetic accessibility and PAINS. Results: Based on the similarity and target prediction studies, renin is found as the most probable target protein for lefamulin. Further, validation studies using docking of lefamulin revealed the significant interactions of lefamulin with the binding pocket of the target protein. Also, three novel scaffolds were predicted using scaffold hopping technique and found to be in the limit to reduce the chances of drug failure in the physiological system during the last stage approval process. Conclusion: To encapsulate the future perspective, lefamulin may assist in the development of the renin inhibitors and, also three possible novel scaffolds with good pharmacokinetic profile can be developed into both as renin inhibitors and for bacterial infections.

scholarly journals Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study

Virology ◽  
2021 ◽  
Vol 554 ◽  
pp. 48-54
Author(s):  
Rana H. Refaey ◽  
Mohamed K. El-Ashrey ◽  
Yassin M. Nissan
Keyword(s):  
Protease Inhibitors ◽  
Computational Study ◽  
Renin Inhibitors ◽  
Main Protease

Peptidic trifluoromethyl alcohols and ketones a general synthesis and application as renin inhibitors

1988 ◽  
Vol 29 (37) ◽  
pp. 4665-4668 ◽  
Author(s):  
Dinesh V. Patel ◽  
Katherine Rielly-Gauvin ◽  
Denis E. Ryono
Keyword(s):  
Renin Inhibitors ◽  
General Synthesis

scholarly journals Effect of Enzymic Hydrolysis of the Scissile Bond on the Secondary Structure of a Dimeric Globular Protein

1986 ◽  
Vol 18 (2) ◽  
pp. 103-109 ◽  
Author(s):  
Tomoko Komiyama ◽  
Takayasu Mori ◽  
Hajime Omata ◽  
Makoto Miwa
Keyword(s):  
Secondary Structure ◽  
Globular Protein ◽  
Enzymic Hydrolysis ◽  
Scissile Bond ◽  
Hydrolysis Of
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