Synthesis and docking simulation of 2- benzoylcyclohexanon e for potential colon cancer treatment / (Record no. 104765)

MARC details
000 -LEADER
fixed length control field 03274ntm a2200349 i 4500
003 - CONTROL NUMBER IDENTIFIER
control field MY-KuUP
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20260421124755.0
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 260421t20252025my a|||fr|||| 000 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number THE0010487 (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 .J53 2025 r Bc.
100 1# - MAIN ENTRY--PERSONAL NAME
Personal name Ong, Jia Xian,
Relator term author.
245 10 - TITLE STATEMENT
Title Synthesis and docking simulation of 2- benzoylcyclohexanon e for potential colon cancer treatment /
Statement of responsibility, etc. Ong Jia Xian
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 #4 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Date of production, publication, distribution, manufacture, or copyright notice © 2025
300 ## - PHYSICAL DESCRIPTION
Extent xiv, 72pages :
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. Colorectal cancer (CRC) remains one of the leading causes of cancer-related mortality globally, emphasizing the need for innovative therapeutic approaches. This study explores the synthesis, characterization, and molecular docking analysis of 2- benzyolcyclohexanone compound, focusing on 2-benzoylcyclohexanone as a promising potential inhibitor of the epidermal growth factor receptor (EGFR), a pivotal protein in CRC progression. The research was conducted in two phases: the first involved the synthesis of the 2-benzyolcyclohexanone compound using Stork enamine alkylation and nucleophilic substitution methods, followed by structural characterization using Fouriertransform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy. FTIR analysis revealed characteristic carbonyl peaks at 1710.51 cm⁻¹ and 1683.10 cm⁻¹, confirming the 2-benzyolcyclohexanone structure. The 1H proton NMR spectrum exhibited aromatic signals between 1.773 and 4.335 ppm, further validating the compound's structure. In the second phase, molecular docking simulations were performed using SwissDock to investigate binding interactions with EGFR. The synthesized 2-benzyolcyclohexanone demonstrated moderate binding affinity (binding energy: -4.824 kcal/mol) compared to Fruquintinib (-5.398 kcal/mol) and AQ4 (-4.895 kcal/mol). Key interactions included hydrophobic forces and π-stacking, which are critical for receptor inhibition. Despite a slightly lower binding affinity than standard inhibitors, 2-benzoylcyclohexanone exhibits significant potential as a lead compound due to its 2-benzyolcyclohexanone scaffold, which serves as an excellent starting point for further optimization.This study establishes a foundation for the development of accessible and cost-effective CRC treatments. Future directions include in vitro cytotoxicity assays, structure-activity relationship (SAR) studies, and in vivo testing to enhance the compound's efficacy and safety profile.
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/46139
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 21/04/2026   FIST .J53 2025 r Bc. T000003759 21/04/2026 21/04/2026 Final Year Report

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