In silico study of carvone derivatives as potential neuraminidase inhibitors

QR Code

In silico study of carvone derivatives as potential neuraminidase inhibitors

Recent outbreaks of highly pathogenic influenza strains have highlighted the need to develop new anti-influenza drugs. Here, we report an in silico study of carvone derivatives to analyze their binding modes with neuraminidase (NA) active sites. Two proposed carvone analogues, CV(A) and CV(B), with...

Full description

Bibliographic Details
Main Authors:	Jusoh, Noorakmar, Zainal, Hasanuddin, Abdul Hamid, Azzmer Azzar, Muhamad Bunnori, Noraslinda, Abd Halim, Khairul Bariyyah, Abd Hamid, Shafida
Format:	Article
Language:	English English English
Published:	Springer Berlin Heidelberg 2018
Subjects:	Q Science (General) QD Chemistry
Online Access:	http://irep.iium.edu.my/63210/ http://irep.iium.edu.my/63210/7/63210%20In%20silico%20study%20of%20carvone%20derivatives%20as%20potential%20neuraminidase%20inhibitors%20SCOPUS.pdf http://irep.iium.edu.my/63210/13/63210_In%20silico%20study%20of%20carvone%20derivatives%20as%20potential%20neuraminidase%20inhibitors_article.pdf http://irep.iium.edu.my/63210/19/63210_In%20silico%20study%20of%20carvone%20derivatives%20as%20potential%20neuraminidase%20inhibitors_WoS.pdf

Similar Items

Synthesis and molecular docking of carvone derivatives as a potential neuraminidase inhibitors
by: Jusoh, Noorakmar, et al.
Published: (2016)

Synthesis, neuraminidase inhibition assay and molecular docking of carvone derivatives
by: Abd Hamid, Shafida
Published: (2019)

Synthesis, in-vitro and in silico studies of azo-based calix[4]arenes as antibacterial agent and neuraminidase inhibitor: a new look into an old scaffold
by: Ali, Yousaf, et al.
Published: (2018)

Computational quest for finding potential Ebola VP40 inhibitors: a molecular docking study
by: Mohamad Ariff Mohamad Yussoff,, et al.
Published: (2020)

A quest on finding new potential ebola vp40 inhibitors: molecular docking and molecular dynamics simulation studies
by: Mohamad Yussoff, Mohamad Ariff, et al.
Published: (2018)

Computational quest for finding potential Ebola VP40 inhibitors: a molecular docking study = [pencarian pengiraan untuk mencari potensi perencat Ebola VP40: suatu kajian mengedok molekul]
by: Mohamad Yussoff, Mohamad Ariff, et al.
Published: (2020)

Interaction of monomeric Ebola VP40 protein with a plasma membrane: a coarse-grained molecular dynamics (CGMD) simulation study
by: Mohamad Yusoff, Mohamad Ariff, et al.
Published: (2018)

In silico binding interactions of dehalogenase (Dehe) with various haloalkanoic acids
by: Abdul Halin, Nur Illani, et al.
Published: (2017)

Neuraminidase inhibitors: who, when, where?
by: Nguyen-Van-Tam, Jonathan S., et al.
Published: (2015)

Identifying catalytic residues for peptidases: in silico perspective
by: Muhamad Bunnori, Noraslinda
Published: (2011)

Neuraminidase inhibitors for influenza complications: authors' reply
by: Nguyen-Van-Tam, Jonathan S., et al.
Published: (2014)

In silico screening of aptamers configuration against hepatitis B surface antigen
by: Sabri, Mohamad Zulkeflee, et al.
Published: (2019)

Evaluation of potential bacterial protease inhibitor properties of selected hydroxyquinoline derivatives : An in silico docking and molecular dynamics simulation approach
by: Riaz, Faiza, et al.
Published: (2023)

Identification Of Potential Neuraminidase Inhibitors Using Ensemble-Based Virtual Screening
by: Lim, Kok Keong
Published: (2013)

In silico structural and functional annotation of nine essential hypothetical proteins from Streptococcus pneumoniae
by: Razali, Khairiah, et al.
Published: (2019)

Microbial hydrolytic enzymes: In silico studies between polar and tropical regions
by: Abd Latip, Muhammad Asyraf, et al.
Published: (2019)

In silico study of the ErbB4 interactions with curcumin analogs
by: Azman, Putri Arsyadian, et al.
Published: (2015)

Potential Neuraminidase Inhibitors Via Virtual Screening, Kinetic Studies, And Adme Predictions
by: Nuwarda, Rina Fajri
Published: (2015)

Computer-Aided Drug Design Of Potential Neuraminidase Inhibitors From Plant Extracts
by: Muchtaridi, Muchtaridi
Published: (2013)

Statistical and methodological concerns about the beneficial effect of neuraminidase inhibitors on mortality
by: Leonardi-Bee, Jo, et al.
Published: (2014)

Molecular docking of selected flavonoid compounds from nelumbo nucifera as potential pancreatic lipase inhibitor
by: Ghazali, Siti Nur Akmal, et al.
Published: (2017)

New 2,4,5-trisubstituted-1,3-thiazole derivatives: synthesis, in vitro antimicrobial activity and in silico study
by: Abdullah Ripain, Iswatun Hasanah, et al.
Published: (2020)

Modelling And Syntheses Of Vanillin Derivatives Targeting Influenza Virus Neuraminidase
by: Asaruddin, Mohd Razip
Published: (2016)

Identifying potential inhibitors of human hexokinase II for the development of anti-dengue therapeutics via virtual screening approaches
by: Ahmad Fuad, Fazia Adyani, et al.
Published: (2017)

Evaluation of curcumin derivatives as new cyclooxygenase-2 inhibitors via in silico and in vitro analyses
by: Abdul Bahari, Mohammad Nazri
Published: (2016)

Virtual High Throughput Screening For Avian Influenza (H5nl) Neuraminidase Inhibitors
by: Ismail, Nurul Izza
Published: (2011)

The mechanistic role of active site residues in non-stereo Haloacid Dehalogenase E (DehE)
by: Zainal Abidin, Muhammad Hasanuddin, et al.
Published: (2019)

The mechanistic role of active site residues in non-stereo haloacid dehalogenase E(DehE)
by: Zainal Abidin, Muhammad Hasanuddin, et al.
Published: (2019)

Fundamental study on protein expression of several selected harmful algal bloom (HAB) species during different growth phases
by: Muhamad Bunnori, Noraslinda, et al.
Published: (2018)

Molecular docking analysis on the designed benzimidazole derivatives as EGFR inhibitors: comparison between EGFR wild-type (EGFRWT) and T790M mutant
by: Nurul Awani Syazzira Jalil,, et al.
Published: (2023)

In Silico Prediction And In Vitro Evaluation Of Caffeic Acid And Its Derivatives As Potential Efflux Pump Inhibitor(S) In Pseudomonas Aeruginosa
by: Zakaria, Noor Zawani
Published: (2019)

Benzalhydantoin derivative-based inhibitors of eight receptor tyrosine kinases: synthesis, in-vitro, and in-silico study
by: Muhammad Naufal,, et al.
Published: (2025)

Rational Design And Synthesis Of Inhibitors For H1n1 Neuraminidase And Dengue Protease Enzymes
by: Hariono, Maywan
Published: (2015)

Applications of calixarenes in cancer chemotherapy: facts and perspectives
by: Ali, Yousaf, et al.
Published: (2015)

In silico study of mangostin compounds and its derivatives as inhibitors of α-glucosidase enzymes for anti-diabetic studies
by: Maulana, Ahmad Fariz, et al.
Published: (2022)

Impact of neuraminidase inhibitor treatment on hospitalisation in patients with pandemic influenza: a multi-method modelling approach
by: Venkatesan, Sudhir
Published: (2019)

In-silico selection of aptamer: a review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry
by: Sabri, Mohamad Zulkeflee, et al.
Published: (2019)

The effect of particle size, methods and time of extraction on the natural antioxidant content and radical scavenging activity of Phyllanthus niruri
by: Muhamad Bunnori, Noraslinda, et al.
Published: (2016)

In-silico identification of potential Protein Arginine Deiminase IV (PAD4) inhibitors
by: Ibrahim, Zalikha, et al.
Published: (2016)

Screening For Potential Inhibitors Of Mycobacterium Tuberculosis Isocitrate Lyase: In Silico And In Vitro Approaches
by: Lee , Yie Vern
Published: (2017)