Molecular docking, derivatization, characterization and biological assays of amantadine

Zarmeena Yasmeen; Mohsin Abbas Khan; Irshad Ahmad; Farhat Ullah; Breena Awan; Muhammad Toseef Akram; Muhammad Rizwan Khan

doi:10.1080/17568919.2024.2385294

Molecular docking, derivatization, characterization and biological assays of amantadine

Zarmeena Yasmeen^*
, Mohsin Abbas Khan
, Irshad Ahmad
, Farhat Ullah
, Breena Awan
, Muhammad Toseef Akram
, Muhammad Rizwan Khan

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Background: Derivatization has been tremendously utilized in the field of drug discovery for optimizing the pharmacological properties and improving safety, efficacy and selectivity. Methodology: Schiff’s bases (AD1–AD11) are synthesized through amantadine condensation with different aldehydes and ketones. Fourier transform infrared, ¹H NMR, ¹³C NMR, TLC, liquid chromatography mass spectrometry analysis, in silico studies, molecular docking and antiviral activity through hemagglutinin test were performed for evaluation of new compounds. Results: AD2, 3 and 9–11 showed greater antiviral activity than the parent drug. Among all derivatives, AD2 and AD3 exhibited good potential against α-amylase while AD7 and AD10 showed stronger inhibition against α-glucosidase. Conclusion: So, it is concluded that the most potent derivatives can be used as lead compounds in novel drug design of antiviral antidiabetic agents.

Original language	English
Pages (from-to)	1853-1863
Number of pages	11
Journal	Future Medicinal Chemistry
Volume	16
Issue number	18
DOIs	https://doi.org/10.1080/17568919.2024.2385294
State	Published - 2024
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2024 Informa UK Limited, trading as Taylor & Francis Group.

Keywords

Schiff’s bases
antiviral
α-amylase
α-glucosidase

ASJC Scopus subject areas

Molecular Medicine
Pharmacology
Drug Discovery

Access to Document

10.1080/17568919.2024.2385294

Cite this

@article{267626e715cd4a2c8d255b5d1ddb64ab,

title = "Molecular docking, derivatization, characterization and biological assays of amantadine",

abstract = "Background: Derivatization has been tremendously utilized in the field of drug discovery for optimizing the pharmacological properties and improving safety, efficacy and selectivity. Methodology: Schiff{\textquoteright}s bases (AD1–AD11) are synthesized through amantadine condensation with different aldehydes and ketones. Fourier transform infrared, 1H NMR, 13C NMR, TLC, liquid chromatography mass spectrometry analysis, in silico studies, molecular docking and antiviral activity through hemagglutinin test were performed for evaluation of new compounds. Results: AD2, 3 and 9–11 showed greater antiviral activity than the parent drug. Among all derivatives, AD2 and AD3 exhibited good potential against α-amylase while AD7 and AD10 showed stronger inhibition against α-glucosidase. Conclusion: So, it is concluded that the most potent derivatives can be used as lead compounds in novel drug design of antiviral antidiabetic agents.",

keywords = "Schiff{\textquoteright}s bases, antiviral, α-amylase, α-glucosidase",

author = "Zarmeena Yasmeen and Khan, \{Mohsin Abbas\} and Irshad Ahmad and Farhat Ullah and Breena Awan and Akram, \{Muhammad Toseef\} and Khan, \{Muhammad Rizwan\}",

note = "Publisher Copyright: {\textcopyright} 2024 Informa UK Limited, trading as Taylor \& Francis Group.",

year = "2024",

doi = "10.1080/17568919.2024.2385294",

language = "English",

volume = "16",

pages = "1853--1863",

journal = "Future Medicinal Chemistry",

issn = "1756-8919",

number = "18",

}

TY - JOUR

T1 - Molecular docking, derivatization, characterization and biological assays of amantadine

AU - Yasmeen, Zarmeena

AU - Khan, Mohsin Abbas

AU - Ahmad, Irshad

AU - Ullah, Farhat

AU - Awan, Breena

AU - Akram, Muhammad Toseef

AU - Khan, Muhammad Rizwan

PY - 2024

Y1 - 2024

N2 - Background: Derivatization has been tremendously utilized in the field of drug discovery for optimizing the pharmacological properties and improving safety, efficacy and selectivity. Methodology: Schiff’s bases (AD1–AD11) are synthesized through amantadine condensation with different aldehydes and ketones. Fourier transform infrared, 1H NMR, 13C NMR, TLC, liquid chromatography mass spectrometry analysis, in silico studies, molecular docking and antiviral activity through hemagglutinin test were performed for evaluation of new compounds. Results: AD2, 3 and 9–11 showed greater antiviral activity than the parent drug. Among all derivatives, AD2 and AD3 exhibited good potential against α-amylase while AD7 and AD10 showed stronger inhibition against α-glucosidase. Conclusion: So, it is concluded that the most potent derivatives can be used as lead compounds in novel drug design of antiviral antidiabetic agents.

AB - Background: Derivatization has been tremendously utilized in the field of drug discovery for optimizing the pharmacological properties and improving safety, efficacy and selectivity. Methodology: Schiff’s bases (AD1–AD11) are synthesized through amantadine condensation with different aldehydes and ketones. Fourier transform infrared, 1H NMR, 13C NMR, TLC, liquid chromatography mass spectrometry analysis, in silico studies, molecular docking and antiviral activity through hemagglutinin test were performed for evaluation of new compounds. Results: AD2, 3 and 9–11 showed greater antiviral activity than the parent drug. Among all derivatives, AD2 and AD3 exhibited good potential against α-amylase while AD7 and AD10 showed stronger inhibition against α-glucosidase. Conclusion: So, it is concluded that the most potent derivatives can be used as lead compounds in novel drug design of antiviral antidiabetic agents.

KW - Schiff’s bases

KW - antiviral

KW - α-amylase

KW - α-glucosidase

UR - https://www.scopus.com/pages/publications/85200905742

U2 - 10.1080/17568919.2024.2385294

DO - 10.1080/17568919.2024.2385294

M3 - Article

C2 - 39119743

AN - SCOPUS:85200905742

SN - 1756-8919

VL - 16

SP - 1853

EP - 1863

JO - Future Medicinal Chemistry

JF - Future Medicinal Chemistry

IS - 18

ER -

Molecular docking, derivatization, characterization and biological assays of amantadine

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

Access to Document

Fingerprint

Cite this