Molecular docking and ADME/T analysis for identification of novel potential COX inhibitors of some isolated compounds from Clausena lansium for analgesic treatment Abhijit Pathak Sumaiya Nahid Abu Sayed Manik Kazi Zahra Mehjabin Fatematuz Zohara Sabrina Afroz Jisan Shababa Wajida Nihar and Nishat Rahman Abstract Identification and molecular docking of novel ACE inhibitory peptides from protein hydrolysates of shrimp waste Fatma Krichen Laboratoire d'Amlioration des Plantes et Valorisation des Agroressources Universit de Sfax Sfax Tunisia 3 6 Identification of the ACE inhibitory peptides

Identification and molecular docking studies for novel

The binding of [(35) S]GTPγS to the GPR173-Gsα fusion protein expressed in Sf9 cells was measured and resulted in the identification of 8 novel GPR173 inverse agonists The most potent compound showed an IC50 of approximately 8 μm

Preparation identification and molecular docking study of novel osteoblast proliferation-promoting peptides from yak (Bos grunniens) bones† Mengliang Ye a Wei Jia ab Chunhui Zhang * a Qingshan Shen a Lingyu Zhu ac and Lisha Wang a

Corpus ID: 212458588 IDENTIFICATION OF DUAL AGONISTIC NOVEL LIGANDS FOR INSULIN RECEPTOR AND PPARγ THROUGH MOLECULAR DOCKING inproceedings{Pitchai2012IDENTIFICATIONOD title={IDENTIFICATION OF DUAL AGONISTIC NOVEL LIGANDS FOR INSULIN RECEPTOR AND PPARγ THROUGH MOLECULAR DOCKING

May 30 2019Citation: Auwal SM Zainal Abidin N Zarei M Tan CP Saari N (2019) Identification structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme (ACE)-inhibitory peptides from stone fish (Actinopyga lecanora) hydrolysates PLoS ONE 14(5): e0197644

The potential molecular mechanism of the NCW/ACE interaction was investigated Results confirmed that the higher inhibitory potency of NCW might be attributed to the formation of more hydrogen bonds with the ACE's active site Therefore the in silico method is effective to predict and identify novel ACE inhibitory peptides from protein

Identification of Novel Inhibitors of the SARS Coronavirus

Mar 30 2004SARS (severe acute respiratory syndrome) is caused by a newly discovered coronavirus A key enzyme for the maturation of this virus and therefore a target for drug development is the main protease 3CLpro (also termed SARS-CoV 3CLpro) We have cloned and expressed in Escherichia coli the full-length SARS-CoV 3CLpro as well as a truncated form

Corpus ID: 212458588 IDENTIFICATION OF DUAL AGONISTIC NOVEL LIGANDS FOR INSULIN RECEPTOR AND PPARγ THROUGH MOLECULAR DOCKING inproceedings{Pitchai2012IDENTIFICATIONOD title={IDENTIFICATION OF DUAL AGONISTIC NOVEL LIGANDS FOR INSULIN RECEPTOR AND PPARγ THROUGH MOLECULAR DOCKING

Jul 20 2014In view that PDE5 is a potential target for the design of antihypertensive drugs a pharmacophore and molecular docking based virtual screening protocol was implemented Two hydrophobic and one ring aromatic feature containing pharmacophore model was developed validated and used to mine Maybridge chemical compound database This led to retrieval of

Utility Scoring functions are widely used in drug discovery and other molecular modelling applications These include: Virtual screening of small molecule databases of candidate ligands to identify novel small molecules that bind to a protein target of interest and therefore are useful starting points for drug discovery De novo design (design from scratch) of novel small

Identification of Novel Urease Inhibitors: Pharmacophore Modeling Virtual Screening and Molecular Docking Studies Pharmacophore modeling and atom based 3D-QSAR have been developed on N-acylglycino- and hippurohydroxamic acid derivatives which are known potential inhibitors of urease

In the current study we report novel natural metabolites namely ursolic acid carvacrol and oleanolic acid as the potential inhibitors against main protease (M pro) of COVID-19 by using integrated molecular modeling approaches From a combination of molecular docking and molecular dynamic (MD) simulations we found three ligands bound to

Validity of molecular docking approaches has been established in a large number of studies primarily to identify enzyme inhibitors 14 15 In this study we applied the high-throughput molecular docking technique to a significant and challenging problem: identification of compounds that enhance rather than inhibit enzyme activity

Title:Toward the Identification of Novel Carbonic Anhydrase XIV Inhibitors using 3D-QSAR Pharmacophore Model Virtual Screening and Molecular Docking Study VOLUME: 11 ISSUE: 4 Author(s):Tao Liu Lu Zhou Taijin Wang Lufen He and Xiangyang Tang Affiliation:College of Chemical Engineering Sichuan University Sichauan Chengdu 610065 China

Prediction molecular docking and identification of novel

Prediction molecular docking and identification of novel umami hexapeptides derived from Atlantic cod (Gadus morhua ) Wenhui Zhu Corresponding Author E-mail address: wenhuiby130163 College of Food Science and Engineering Bohai University National Local Joint Engineering Research Center of Storage Processing and Safety Control

Dec 01 2017The study report a novel ACE inhibitory octapeptide Val-Val-Ser-Leu-Ser-Ile-Pro-Arg with a molecular mass of 869 53 Da The Lineweaver–Burk plot indicated that the inhibition of ACE by this peptide is in competitive mode Also molecular docking and simulation studies showed a strong and stable interaction of the peptide with ACE

Jul 20 2014In view that PDE5 is a potential target for the design of antihypertensive drugs a pharmacophore and molecular docking based virtual screening protocol was implemented Two hydrophobic and one ring aromatic feature containing pharmacophore model was developed validated and used to mine Maybridge chemical compound database This led to retrieval of

Developing a new agent in the thrombolytic field plants are widely used for the management of myocardial infarction thromboembolic strokes deep vein thrombosis and pulmonary embolism For this purpose we subjected the active compounds of to reveal

Identification structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme (ACE)-inhibitory peptides from stone fish (Actinopyga lecanora) hydrolysates Shehu Muhammad Auwal Najib Zainal Abidin [ ] Nazamid Saari

The objective of this work was to identify a novel ACE inhibitory peptide from myosin using a number of in silico methods Myosin was evaluated as a substrate for use in the generation of ACE inhibitory peptides using BIOPEP and ExPASy PeptideCutter Then the ACE inhibitory activity prediction of peptides in

Mar 11 2020Aleix Gimeno Jlia Mestres-Truyol Mara Jos Ojeda-Montes Guillem Macip Bryan Saldivar-Espinoza Adri Cereto-Massagu Gerard Pujadas Santiago Garcia-Vallv Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition International Journal of Molecular Sciences 10 3390