Design and synthesis of heterocyclic compounds as potential kappa opioid receptor modulators / (Record no. 83926)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 03034cam a2200337 a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | EG-GiCUC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250223032911.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 220110s2021 ua dh f m 000 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | EG-GiCUC |
| Language of cataloging | eng |
| Transcribing agency | EG-GiCUC |
| 041 0# - LANGUAGE CODE | |
| Language code of text/sound track or separate title | eng |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | Deposite |
| 097 ## - Thesis Degree | |
| Thesis Level | Ph.D |
| 099 ## - LOCAL FREE-TEXT CALL NUMBER (OCLC) | |
| Classification number | Cai01.08.05.Ph.D.2021.Ah.D |
| 100 0# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Ahmed Mohammed Abdo Abdulwali |
| 245 10 - TITLE STATEMENT | |
| Title | Design and synthesis of heterocyclic compounds as potential kappa opioid receptor modulators / |
| Statement of responsibility, etc. | Ahmed Mohammed Abdo Abdulwali ; Supervised Amal Abdel Haleem Mohamed Eissa , Mohamed Aboalhasan Helal |
| 246 15 - VARYING FORM OF TITLE | |
| Title proper/short title | تصميم و تشييد مركبات حلقية غير متجانسة كمؤثرات محتمله لمستقبلات كابا الأفيونية |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | Cairo : |
| Name of publisher, distributor, etc. | Ahmed Mohammed Abdo Abdulwali , |
| Date of publication, distribution, etc. | 2021 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 144 P . : |
| Other physical details | charts , facsmilies ; |
| Dimensions | 25cm |
| 502 ## - DISSERTATION NOTE | |
| Dissertation note | Thesis (Ph.D.) - Cairo University - Faculty of Pharmacy - Department of Pharmaceutical Chemistry |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | The present study involves the design and synthesis of compounds based on a tetrahydroisoquinoline scaffold linked via urea or amide group to a variety of hydrophobic substituents. Out of the 35 synthesized compounds, 30 compounds were screened for their ability to bind to the kappa opioid receptor in an attempt to come up with potential agents for the treatment of addiction. In addition, selected compounds were also tested against mu opioid receptors to evaluate their selectivity. Most of the tested compounds showed a good percentage of binding. In addition, the binding constant (Ki) for the compounds with highest percentage of binding (greater than 60%) was measured and compounds (S)-27c, (R)-27c, (R)-27d, (S)-27h, (R)-27h, (S)-27j, (S)-27k, (S)-27o, (S)-27b and (R)-27b were found to have the lowest Ki values that range from 0.8 to 9.3 oM. Molecular docking study was performed in the active site of both opioid receptor subtypes, mu and kappa, to predict the mode of binding which these compounds may adopt.Moreover, an in silico investigation based on a 500-ns molecular dynamics simulation was conducted using the selective agents, JDTic and Alvimopan, which have showed the most antagonistic activity against kappa and mu opioid receptors, respectively. This study could help in deciphering the molecular basis of kappa opioid receptor selectivity. Finally, we have performed a 100-ns molecular dynamic simulation using one of the most active compounds in our series, (R)-27d, with kappa opioid receptor, as a complementary work for the docking study, to elucidate the stability of the proposed binding mode of this compound |
| 530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE | |
| Additional physical form available note | Issued also as CD |
| 653 #4 - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Heterocyclic compounds |
| 653 #4 - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Kappa opioid receptor |
| 653 #4 - INDEX TERM--UNCONTROLLED | |
| Uncontrolled term | Opioid receptor modulators |
| 700 0# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Amal Abdel Haleem Mohamed Eissa , |
| Relator term | |
| 700 0# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Mohamed Aboalhasan Helal , |
| Relator term | |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://172.23.153.220/th.pdf">http://172.23.153.220/th.pdf</a> |
| 905 ## - LOCAL DATA ELEMENT E, LDE (RLIN) | |
| Cataloger | Amira |
| Reviser | Cataloger |
| 905 ## - LOCAL DATA ELEMENT E, LDE (RLIN) | |
| Cataloger | Nazla |
| Reviser | Revisor |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Dewey Decimal Classification |
| Koha item type | Thesis |
| Source of classification or shelving scheme | Not for loan | Home library | Current library | Date acquired | Full call number | Barcode | Date last seen | Koha item type | Copy number |
|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | المكتبة المركزبة الجديدة - جامعة القاهرة | قاعة الرسائل الجامعية - الدور الاول | 11.02.2024 | Cai01.08.05.Ph.D.2021.Ah.D | 01010110085254000 | 22.09.2023 | Thesis | ||
| Dewey Decimal Classification | المكتبة المركزبة الجديدة - جامعة القاهرة | مخـــزن الرســائل الجـــامعية - البدروم | 11.02.2024 | Cai01.08.05.Ph.D.2021.Ah.D | 01020110085254000 | 22.09.2023 | CD - Rom | 85254.CD |