Goniothalamin and Its Analogues as Potential Inhibitors of Plasmodium falciparum Lactate Dehydrogenase Enzyme: Molecular Docking, Molecular Dynamics Simulation Studies, and Pharmacokinetics Analysis

QR Code

Goniothalamin and Its Analogues as Potential Inhibitors of Plasmodium falciparum Lactate Dehydrogenase Enzyme: Molecular Docking, Molecular Dynamics Simulation Studies, and Pharmacokinetics Analysis

Malaria has been a major concern worldwide due to the resistance of malarial parasites to most of the available antimalarial drugs. Therefore, developing new drugs is necessary to overcome this drug resistance. Plasmodium falciparum lactate dehydrogenase (pfLDH) is a gene necessary for the survival...

Full description

Bibliographic Details
Published in:	Malaysian Journal of Chemistry
Main Author:	Ideris S.; Imran S.; Latip N.A.; Osman C.P.
Format:	Article
Language:	English
Published:	Malaysian Institute of Chemistry 2024
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85186976547&doi=10.55373%2fmjchem.v26i1.27&partnerID=40&md5=35baa315b5a939543b88988f69a87c50

Similar Items

Molecular Docking, Drug-likeness, and ADMET Predictions for Goniothalamin and its Analogues as Plasmepsin II Inhibitors
by: Ideris S.; Imran S.; Abd Latip N.; Osman C.P.
Published: (2024)

Three new dihydrochalcones from the leaves of Artocarpus sericicarpus Jarrett and their activity against Plasmodium falciparum
by: Tumewu L.; Ilmi H.; Kartika Sari D.; Permanasari A.A.; Khairun Nisa H.; Saputri R.D.; Tjahjandarie T.S.; Tanjung M.; Osman C.P.; Ismail N.H.; Suciati; Widyawaruyanti A.; Hafid A.F.
Published: (2024)

Three new dihydrochalcones from the leaves of Artocarpus sericicarpus Jarrett and their activity against Plasmodium falciparum
by: Tumewu, et al.
Published: (2024)

Evaluation of the binding interactions between Plasmodium falciparum Kelch-13 mutant recombinant proteins with artemisinin
by: Yusuf N.M.; Azman A.N.; Aziz A.A.A.; Fuad F.A.A.; Nasarudin R.N.; Hisam S.
Published: (2024)

MULTIPLE REACTION MONITORING (MRM) OF PORCINE-SPECIFIC PEPTIDE MARKERS FROM LACTATE DEHYDROGENASE AND SERUM ALBUMIN IN PROCESSED MEAT FOR HALAL AUTHENTICATION; [Pemantauan Tindak Balas Pelbagai (MRM) Penanda Peptida Khusus bagi Khinzir dari Lactate Dehydrogenase dan Serum Albumin dalam Daging yang Diproses untuk Pengesahan Halal]
by: Abidin S.A.S.Z.; Sazili A.Q.; Faradalila W.N.; Amin I.; Karsani S.A.
Published: (2024)

New Quinoline Analogues: As Potential Diabetics Inhibitors and Molecular Docking Study
by: Taha M.; Salahuddin M.; Rahim F.; Imran S.; Hussain S.; Uddin N.; Khan K.M.
Published: (2024)

Designing of promising medicinal scaffolds for Alzheimer's disease through enzyme inhibition, lead optimization, molecular docking and dynamic simulation approaches
by: Hassan M.; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Shahzadi S.; Raza H.; Hussain G.; Shah S.A.A.; Ashraf M.; Shahid M.; Seo S.-Y.; Malik A.
Published: (2019)

Conventional versus microwave assisted synthesis, molecular docking and enzyme inhibitory activities of new 3,4,5-trisubstituted-1,2,4-triazole analogues
by: Virk N.A.; Rehman A.; Abbasi M.A.; Siddiqui S.Z.; Rashid U.; Iqbal J.; Saleem M.; Ashraf M.; Shahid W.; Shah S.A.A.
Published: (2018)

Exploration of synthetic multifunctional amides as new therapeutic agents for Alzheimer's disease through enzyme inhibition, chemoinformatic properties, molecular docking and dynamic simulation insights
by: Hassan M.; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Hussain G.; Shah S.A.A.; Shahid M.; Seo S.-Y.
Published: (2018)

Synthesis, in vitro urease inhibitory potential and molecular docking study of Benzimidazole analogues
by: Zaman K.; Rahim F.; Taha M.; Ullah H.; Wadood A.; Nawaz M.; Khan F.; Wahab Z.; Shah S.A.A.; Rehman A.U.; Kawde A.-N.; Gollapalli M.
Published: (2019)

Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents
by: Kumar S.; Kaushik A.; Narasimhan B.; Shah S.A.A.; Lim S.M.; Ramasamy K.; Mani V.
Published: (2019)

Synthesis, in vitro α-glucosidase activity and in silico molecular docking study of isatin analogues
by: Ullah H.; Rahim F.; Ullah E.; Hayat S.; Zada H.; Khan F.; Wadood A.; Nawaz F.; Rehman Z.U.; Shah S.A.A.
Published: (2023)

Synthesis, biological evaluation and molecular docking study of indazole based schiff base analogues as new anti-diabetic inhibitors
by: Taha, et al.
Published: (2024)

The β-carboline analogs as a potent inhibitor for Alzheimer's Disease, molecular docking and dynamics simulation study
by: Taha M.; Rahim F.; Khan A.A.; Adalat B.; Imran S.; Alshehri J.M.; Ahmad A.; Khan K.M.; Shah S.A.A.; Uddin N.
Published: (2023)

Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues
by: Taha M.; Rahim F.; Ullah H.; Wadood A.; Farooq R.K.; Shah S.A.A.; Nawaz M.; Zakaria Z.A.
Published: (2020)

Insight parameter drug design for human β-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of α-keto-[1,2,4]-oxadiazoles
by: Yu C.X.; Tan J.W.; Rullah K.; Imran S.; Tham C.L.
Published: (2023)

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease
by: Nadeem, et al.
Published: (2025)

Synthesis, biological evaluation and molecular docking study of oxindole based chalcone analogues as potent anti-Alzheimer agents
by: Taha M.; Sadia H.; Rahim F.; Khan M.I.; Hayat S.; Iqbal N.; Nawaz F.; Ullah H.; Zada H.; Shah S.A.A.; Wadood A.; Farooq R.K.; Khan K.M.
Published: (2023)

New triazinoindole bearing thiazole/oxazole analogues: Synthesis, α-amylase inhibitory potential and molecular docking study
by: Rahim F.; Tariq S.; Taha M.; Ullah H.; Zaman K.; Uddin I.; Wadood A.; Khan A.A.; Rehman A.U.; Uddin N.; Zafar S.; Shah S.A.A.
Published: (2019)

Synthesis, biological evaluation and molecular docking study of indazole based schiff base analogues as new anti-diabetic inhibitors
by: Taha M.; Gilani S.J.; Kazmi I.; Rahim F.; Adalat B.; Ullah H.; Nawaz F.; Wadood A.; Ali Z.; Shah S.A.A.; Khan K.M.
Published: (2024)

DFT, Fukui indices, and molecular dynamic simulation studies on corrosion inhibition characteristics: a review
by: Razali N.Z.K.; Wan Hassan W.N.S.; Sheikh Mohd Ghazali S.A.I.; Mohd Shotor S.N.; Dzulkifli N.N.
Published: (2024)

Molecular docking and molecular dynamic simulations of apoptosis proteins with potential anticancer compounds present in Clinacanthus nutans extract using gas chromatography–mass spectrometry
by: Ismail N.Z.; Mohamed W.A.S.; Ab. Rahim N.; Hashim N.M.; Adebayo I.A.; Mohamad Zain N.N.; Arsad H.
Published: (2023)

Molecular dynamics of nanocellulose-based nanocomposites: a review
by: Nurazzi N.M.; Shazleen S.S.; Norrrahim M.N.F.; Sabaruddin F.A.; Ilyas R.A.; Asyraf M.R.M.; Kamarudin S.H.; Naveen J.; Sapuan S.M.
Published: (2023)

Extraction, characterization and molecular structure of bovine skin gelatin extracted with plant enzymes bromelain and zingibain
by: Ahmad T.; Ismail A.; Ahmad S.A.; Khalil K.A.; Kee L.T.; Awad E.A.; Sazili A.Q.
Published: (2020)

Potential of dihydropyrimidine dehydrogenase genotypes in personalizing 5-fluorouracil therapy among colorectal cancer patients
by: Teh L.K.; Hamzah S.; Hashim H.; Bannur Z.; Zakaria Z.A.; Hasbullani Z.; Shia J.K.S.; Fijeraid H.; Md Nor A.; Zailani M.; Ramasamy P.; Ngow H.; Sood S.; Salleh M.Z.
Published: (2013)

Semicarbazones, thiosemicarbazone, thiazole and oxazole analogues as monoamine oxidase inhibitors: Synthesis, characterization, biological evaluation, molecular docking, and kinetic studies
by: Qazi S.U.; Naz A.; Hameed A.; Osra F.A.; Jalil S.; Iqbal J.; Shah S.A.A.; Mirza A.Z.
Published: (2021)

Molecular networking-based mass spectral identification of Brucea javanica (L.) Merr. metabolites and their selective binding affinities for dengue virus enzymes
by: Yousof, et al.
Published: (2024)

A Comprehensive Analysis of Human CYP3A4 Crystal Structures as a Potential Tool for Molecular Docking-Based Site of Metabolism and Enzyme Inhibition Studies
by: Ridhwan M.J.M.; Bakar S.I.A.; Latip N.A.; Ghani N.A.; Ismail N.H.
Published: (2022)

Evaluation of ethyl lactate as solvent in Fenton oxidation for the remediation of total petroleum hydrocarbon (TPH)-contaminated soil
by: Jalilian Ahmadkalaei S.P.; Gan S.; Ng H.K.; Abdul Talib S.
Published: (2017)

Exploring dynamic biomedical algorithm of Eurycoma longifolia Jack and its bioactive phytochemicals: A review of pharmacokinetic and pharmacodynamic implications and future prospects
by: Thu H.; Hussain Z.; Mohamed I.; Shuid A.
Published: (2018)

Development of a Novel CYP3A4 Classifier Model via Site of Metabolism (SOM)-based Molecular Docking, Multivariate Analysis and Molecular Dynamics of Known Substrates and Inhibitors
by: Ridhwan M.J.M.; Hashim N.A.A.; Kasim N.; Abdullah N.N.; Inayatsyah N.A.; Abid O.; Ismail N.H.; Imran S.
Published: (2024)

Characterisation of Plasmodium berghei NK65 Infection in ICR Mice as a Severe Malarial Infection Model; [Pencirian Jangkitan Plasmodium berghei NK65 pada Mencit ICR sebagai Model Jangkitan Malaria Teruk]
by: Ali A.H.; Hassan W.R.M.; Dahari D.E.; Embi N.; Sidek H.M.; Basir R.; Agustar H.K.; Latip J.
Published: (2022)

Dynamic Interfacial Adhesion through Cucurbit[n]uril Molecular Recognition
by: Liu J.; Tan C.S.Y.; Scherman O.A.
Published: (2018)

Synthesis, characterization, enzyme inhibition and molecular docking studies of benzothiazole derivatives bearing alkyl phenyl ether fragments
by: Usman M.; Alam A.; Zainab; Khan M.; Elhenawy A.A.; Ayaz M.; Alanazi M.M.; Latif A.; Shah S.A.A.; Ali M.; Ahmad M.
Published: (2025)

Synthesis, characterization, enzyme inhibition and molecular docking studies of benzothiazole derivatives bearing alkyl phenyl ether fragments
by: Usman, et al.
Published: (2025)

Investigation of ethyl lactate as a green solvent for desorption of total petroleum hydrocarbons (TPH) from contaminated soil
by: Jalilian Ahmadkalaei S.P.; Gan S.; Ng H.K.; Abdul Talib S.
Published: (2016)

Virtual screening, ADME study, and molecular dynamic simulation of chalcone and flavone derivatives as 5-Lipoxygenase (5-LO) inhibitor
by: Mohd Amin S.N.; Md Idris M.H.; Selvaraj M.; Mohd Amin S.N.; Jamari H.; Kek T.L.; Salleh M.Z.
Published: (2020)

Synthesis, biological evaluation, molecular docking and dynamic simulation of novel benzofuran derivatives as potential agents against Alzheimer's disease
by: Nadeem M.S.; Hayat S.; Rahim F.; Khan J.A.; Ullah H.; Taha M.; Gupta G.; Wadood A.; Shah S.A.A.; Kazmi I.; Iftikhar S.; Muhammad K.
Published: (2025)

Molecular dynamic investigation on the dissolution behaviour of carbamazepine form III in ethanol solution
by: Yusop S.N.; Anuar N.; Md Azmi N.S.; Abu Bakar N.H.
Published: (2019)

Molecular Docking and Molecular Dynamics of Herbal Plants Phylantus Niruri Linn (Green Meniran) towards of SARS-CoV-2 Main Protease
by: Fatriansyah J.F.; Kurnianto S.R.; Surip S.N.; Pradana A.F.; Boanerges A.G.
Published: (2023)