دورية أكاديمية
Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives.
العنوان: | Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives. |
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المؤلفون: | Venugopala KN; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia.; Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa., Chandrashekharappa S; Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER-R) Raebareli, Lucknow UP 226002, India.; Institute for Stem Cell Science and Regenerative Medicine, NCBS, TIFR, GKVK, Bellary Road, Bangalore 560065, India., Tratrat C; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Deb PK; Faculty of Pharmacy, Philadelphia University, Amman 19392, Jordan., Nagdeve RD; Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440010, Maharashtra, India., Nayak SK; Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440010, Maharashtra, India., Morsy MA; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia.; Department of Pharmacology, Faculty of Medicine, Minia University, El-Minia 61511, Egypt., Borah P; Pratiksha Institute of Pharmaceutical Sciences, Chandrapur Road, Panikhaiti, Guwahati 781026, Assam, India., Mahomoodally FM; Department of Health Sciences, Faculty of Medicine and Health Sciences, University of Mauritius, Réduit 80835, Mauritius., Mailavaram RP; Department of Pharmaceutical Chemistry, Shri Vishnu College of Pharmacy, Vishnupur, Bhimavaram 534202, India., Attimarad M; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Aldhubiab BE; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Sreeharsha N; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia.; Department of Pharmaceutics, Vidya Siri College of Pharmacy, Off Sarjapura Road, Bangalore 560035, India., Nair AB; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Alwassil OI; Department of Pharmaceutical Sciences, College of Pharmacy, King Saud bin Abdulaziz University for Health Sciences, Riyadh 11481, Saudi Arabia., Haroun M; Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Mohanlall V; Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa., Shinu P; Department of Biomedical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia., Venugopala R; Department of Public Health Medicine, Howard College Campus, University of KwaZulu-Natal, Durban 4001, South Africa., Kandeel M; Department of Biomedical Sciences, College of Veterinary Medicine, King Faisal University, Al-Ahsa 31982, Saudi Arabia.; Department of Pharmacology, Faculty of Veterinary Medicine, Kafrelsheikh University, Kafrelsheikh 33516, Egypt., Nandeshwarappa BP; Department of Studies in Chemistry, Shivagangotri, Davangere University, Davangere, Karnataka 577007, India., Ibrahim YF; Department of Pharmacology, Faculty of Medicine, Minia University, El-Minia 61511, Egypt. |
المصدر: | Molecules (Basel, Switzerland) [Molecules] 2021 Jun 10; Vol. 26 (12). Date of Electronic Publication: 2021 Jun 10. |
نوع المنشور: | Journal Article |
اللغة: | English |
بيانات الدورية: | Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE |
أسماء مطبوعة: | Original Publication: Basel, Switzerland : MDPI, c1995- |
مواضيع طبية MeSH: | Cyclooxygenase 2 Inhibitors/*chemistry , Indolizines/*chemistry, Anti-Inflammatory Agents/chemistry ; Crystallography, X-Ray/methods ; Cyclooxygenase 2/metabolism ; Humans ; Hydrophobic and Hydrophilic Interactions ; Indomethacin/chemistry ; Structure-Activity Relationship |
مستخلص: | The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In this study, the design and synthesis of a new series of 7-methoxy indolizines as bioisostere indomethacin analogues ( 5a - e ) were carried out and evaluated for COX-2 enzyme inhibition. All the compounds showed activity in micromolar ranges, and the compound diethyl 3-(4-cyanobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate ( 5a ) emerged as a promising COX-2 inhibitor with an IC |
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معلومات مُعتمدة: | 186333 Deanship of Scientific Research, King Faisal University |
فهرسة مساهمة: | Keywords: COX-2 inhibition; Hirshfeld surface analysis; crystal structure; energy framework; indolizine derivatives; molecular modeling |
المشرفين على المادة: | 0 (Anti-Inflammatory Agents) 0 (Cyclooxygenase 2 Inhibitors) 0 (Indolizines) 274-40-8 (indolizine) EC 1.14.99.1 (Cyclooxygenase 2) XXE1CET956 (Indomethacin) |
تواريخ الأحداث: | Date Created: 20210702 Date Completed: 20210713 Latest Revision: 20210713 |
رمز التحديث: | 20240628 |
مُعرف محوري في PubMed: | PMC8230391 |
DOI: | 10.3390/molecules26123550 |
PMID: | 34200764 |
قاعدة البيانات: | MEDLINE |
تدمد: | 1420-3049 |
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DOI: | 10.3390/molecules26123550 |