PENGEMBANGAN SENYAWA ANALGESIK TURUNAN ASAM 5-BROMO-O-BENZOIL SALISILAT (2) SECARA IN SILICO (2= 4-Cl, 4-OCH3, 3-Cl, 4-N(CH3)2, 3,5-bis-CF3)

Aisyi, Alifia Rahma Rohadatul (2024) PENGEMBANGAN SENYAWA ANALGESIK TURUNAN ASAM 5-BROMO-O-BENZOIL SALISILAT (2) SECARA IN SILICO (2= 4-Cl, 4-OCH3, 3-Cl, 4-N(CH3)2, 3,5-bis-CF3). Undergraduate thesis, Universitas Muhammadiyah Malang.

[thumbnail of PENDAHULUAN.pdf]
Preview
Text
PENDAHULUAN.pdf

Download (1MB) | Preview
[thumbnail of BAB I.pdf]
Preview
Text
BAB I.pdf

Download (190kB) | Preview
[thumbnail of BAB II.pdf]
Preview
Text
BAB II.pdf

Download (268kB) | Preview
[thumbnail of BAB III.pdf]
Preview
Text
BAB III.pdf

Download (130kB) | Preview
[thumbnail of BAB IV.pdf]
Preview
Text
BAB IV.pdf

Download (3MB) | Preview
[thumbnail of BAB V.pdf] Text
BAB V.pdf
Restricted to Registered users only

Download (694kB) | Request a copy
[thumbnail of BAB VI.pdf] Text
BAB VI.pdf
Restricted to Registered users only

Download (218kB) | Request a copy
[thumbnail of BAB VII.pdf] Text
BAB VII.pdf
Restricted to Registered users only

Download (116kB) | Request a copy
[thumbnail of LAMPIRAN.pdf] Text
LAMPIRAN.pdf
Restricted to Registered users only

Download (1MB) | Request a copy

Abstract

Backgorund: analgesics are drugs to relieve or treat pain. Two types analgesics namely opioid and non-opioid analgesics or NSAIDs. One of the NSAID drugs is acetylsalicylic acid (a derivative of salicylic acid), this drug has side effects on the gastrointestinal tract. Efforts to develop new, more optimal analgesic drugs were carried out by modifying the molecular structure using the Topliss approach, then in silico predictions of ADMET activity and profile were carried out.
Objective : predict analgesic activity and pharmacokinetic profile (ADME) as well as toxicity of 5-bromo-O-benzoyl salicylic acid derivative compounds.
Methods :prediction of analgesic activity using the molecular docking method via Autodock software and prediction of pharmacokinetic profiles (ADME) and toxicity via the pkCSM webserver
Result and conclusions : based on the research results, it shows that several 5-bromo-O-benzoyl salicylic acid derivative compounds have better pharmacokinetic values than the comparison compound and lower toxicity than the comparison compound. The five derivative compounds of 5-bromo-O-benzoyl salicylic acid have higher binding energy values than the comparison compounds so they are not suitable for synthesis and require further research.

Item Type: Thesis (Undergraduate)
Student ID: 202010410311048
Keywords: Analgesic, 5-bromo-O-benzoyl salicylic acid derivative, In silico, molecular docking, ADME, Toxicity
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Health Science > Department of Pharmacy (48201)
Depositing User: nurhadin Nur Hadin
Date Deposited: 23 Jan 2024 08:47
Last Modified: 30 Jan 2024 04:29
URI: https://eprints.umm.ac.id/id/eprint/2904

Actions (login required)

View Item
View Item