Synthesis of pyrazoline based compound and computational docking simulation for potential treatment of congestive heart failure / (Record no. 104755)

MARC details
000 -LEADER
fixed length control field 03349ntm a2200349 i 4500
003 - CONTROL NUMBER IDENTIFIER
control field MY-KuUP
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20260420144103.0
006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS
fixed length control field t||||fr|||| 000 0
007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION
fixed length control field ta
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 260420t20252025my a|||fr|||| 000 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number THE0010477 (Local)
Qualifying information Hardback
040 ## - CATALOGING SOURCE
Original cataloging agency UMPSA
Language of cataloging eng
Transcribing agency UMPSA
Description conventions rda
090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN)
Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) FIST .Y44 2025 r Bc.
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Heg, Yee Wern,
Relator term author.
245 10 - TITLE STATEMENT
Title Synthesis of pyrazoline based compound and computational docking simulation for potential treatment of congestive heart failure /
Statement of responsibility, etc. Heg Yee Wern
264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Place of production, publication, distribution, manufacture Kuantan, Pahang :
Name of producer, publisher, distributor, manufacturer UMPSA,
Date of production, publication, distribution, manufacture, or copyright notice 2025
264 ## - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Date of production, publication, distribution, manufacture, or copyright notice © 2025
300 ## - PHYSICAL DESCRIPTION
Extent xvi, 80 pages :
Other physical details illustrations ;
336 ## - CONTENT TYPE
Source rdacontent
Content type term text
337 ## - MEDIA TYPE
Source rdamedia
Media type term unmediated
338 ## - CARRIER TYPE
Source rdacarrier
Carrier type term volume
347 ## - DIGITAL FILE CHARACTERISTICS
Source rda
File type text file
Encoding format PDF
500 ## - GENERAL NOTE
General note Faculty of Industrial Sciences and Technology
502 ## - DISSERTATION NOTE
Dissertation note Final Year Report (Bachelor of Applied Science of Industrial Chemistry) -- Universiti Malaysia Pahang Al-Sultan Abdullah - 2025
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc. note Include bibliographical reference
520 3# - SUMMARY, ETC.
Summary, etc. The study aimed to synthesize a new pyrazoline-based compound and evaluate its potential as a therapeutic agent for congestive heart failure. In the first phase, the pyrazoline-based compound was synthesized via Aldol condensation and Michael addition reaction. The final structure of the synthesized compound was characterized by using spectroscopic techniques. FTIR analysis revealed disappearing key functional group signal including α,β-unsaturated ketone C=O at 1678.40 cm-1 , confirming Aldol condensation was successful. H 1 and C13 NMR further supported the structure with a singlet at 6.32 ppm for N-H proton and multiplet at 7.20-7.40 ppm for aromatic protons. In C13 NMR, the N-C carbon appeared at 131.35 ppm and 134.5 ppm , while aromatic carbons were observed in the range of 129.60-131.24 ppm. Furthermore, in the second phase, the synthesized compound was subjected to in silico molecular docking study targeting four key cardiovascular enzymes—MAPK14, MMP9, NFKBIA and PTGS2. This study is aimed to analyze protein-ligand interactions and evaluate the compound’s potential as a therapeutic agent for heart failure. The result revealed that the synthesized pyrazoline-based compound exhibit higher binding affinities (-6.648 kcal/mol, -6.453 kcal/mol, -5.929 kcal/mol and -7.083 kcal/mol ) compared to captopril (-4.268 kcal/mol, -4.839 kcal/mol, -4.160 kcal/mol and -4.874 kcal/mol ), though the binding affinity is slightly lower than co-crystal standard (-7.611 kcal/mol, -7.138 kcal/mol, -5.235 kcal/mol and -5.780 kcal/mol ). These findings highlighted the potential of the synthesized compound for further development and the potential of PTGS2 protein to be a more pronounce target protein for synthesized pyrazoline-based compound. The interaction was mediated primarily by hydrogen bonding with the essential amino acid residue LUE145, PHE142 and TRP139 and stacking interaction with PHE142 Finally, the preliminary findings indicated that the newly synthesized pyrazoline-bas
610 20 - SUBJECT ADDED ENTRY--CORPORATE NAME
Corporate name or jurisdiction name as entry element Faculty of Industrial Sciences and Technology
General subdivision Dissertations
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Universities and colleges
General subdivision Dissertations
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Theses
General subdivision Dissertations
856 ## - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier https://umpir.ump.edu.my/id/eprint/46104
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Library of Congress Classification
Koha item type Final Year Report
Holdings
Withdrawn status Lost status Source of classification or shelving scheme Damaged status Not for loan Permanent Location Current Location Date acquired Total Checkouts Full call number Barcode Date last seen Price effective from Koha item type
  Not lost Library of Congress Classification     UMPLIB GAMBANG UMPLIB GAMBANG 20/04/2026   FIST .Y44 2025 r Bc. T000003749 20/04/2026 20/04/2026 Final Year Report

Perpustakaan Universiti Malaysia Pahang Al-Sultan Abdullah
26600 Pekan, Pahang Darul Makmur
Phone: +609 431 5063 (Gambang) / +609 431 5035 (Pekan)
Email: umplibrary@umpsa.edu.my

Connect With Us