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Green synthesized silver nanoparticles of Terminalia bellirica leaves extract: synthesis, characterization, in-silico studies, and antimalarial activity

Artificial cells, nanomedicine, and biotechnology, 2024-12, Vol.52 (1), p.238-249

2024

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Oplodiol and nitidine as potential inhibitors of Plasmodium falciparum dihydrofolate reductase: insights from a computational study

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (4), p.1655-1669

2024

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Development of potent autophagy inhibitors that sensitize oncogenic BRAF V600E mutant melanoma tumor cells to vemurafenib

Autophagy, 2014-06, Vol.10 (6), p.1120-1136

2014

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Molecular docking and antimalarial evaluation of hybrid para-aminobenzoic acid 1,3,5 triazine derivatives via inhibition of Pf-DHFR

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (24), p.15520-15534

2023

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Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculations

Journal of biomolecular structure & dynamics, 2023-08, Vol.41 (12), p.5728-5743

2023

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Anti-plasmodial activity of aqueous neem leaf extract mediated green synthesis-based silver nitrate nanoparticles

Preparative biochemistry & biotechnology, 2022-01, Vol.52 (1), p.99-107

2022

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First synthesis of (±)-myristicyclin A

Bioscience, biotechnology, and biochemistry, 2018-11, Vol.82 (11), p.1867-1870

2018

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In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy

Journal of biomolecular structure & dynamics, 2024-01, Vol.42 (1), p.101-118

2024

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Identification of natural products against enoyl-acyl-carrier-protein reductase in malaria via combined pharmacophore modeling, molecular docking and simulations studies

Journal of biomolecular structure & dynamics, 2023-03, Vol.41 (5), p.2002-2015

2023

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In-Silico molecular docking and simulation studies on novel chalcone and flavone hybrid derivatives with 1, 2, 3-triazole linkage as vital inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase

Journal of biomolecular structure & dynamics, 2018-11, Vol.36 (15), p.3993-4009

2018

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Structure- and ligand-based drug design methods for the modeling of antimalarial agents: a review of updates from 2012 onwards

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (20), p.10481-10506

2022

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Exploring potential of Plasmodium RUVBL proteins as anti-malarial drug target

Journal of biomolecular structure & dynamics, 2023-01, Vol.41 (2), p.736-752

2023

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Toxicity profiling and prioritization of plant-derived antimalarial agents

SAR and QSAR in environmental research, 2019-11, Vol.30 (11), p.801-824

2019

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In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria

Pharmaceutical biology, 2017-12, Vol.55 (1), p.19-32

2017

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Antimalarial potential, LC-MS secondary metabolite profiling and computational studies of Zingiber officinale

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (5), p.2570-2585

2024

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An in silico quest for next-generation antimalarial drugs by targeting Plasmodium falciparum hexose transporter protein: a multi-pronged approach

Journal of biomolecular structure & dynamics, 2023, Vol.41 (23), p.14450-14459

2023

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Application of heparin as a dual agent with antimalarial and liposome targeting activities toward Plasmodium -infected red blood cells

Nanomedicine, 2014-11, Vol.10 (8), p.1719-1728

2014

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Identification of new oxospiro chromane quinoline-carboxylate antimalarials that arrest parasite growth at ring stage

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (24), p.15485-15506

2023

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Manzamines: A potential for novel cures

Cell cycle (Georgetown, Tex.), 2012-05, Vol.11 (9), p.1765-1772

2012

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Isolation, structural elucidation and antiplasmodial activity of fucosterol compound from brown seaweed, Sargassum linearifolium against malarial parasite Plasmodium falciparum

Natural product research, 2018-06, Vol.32 (11), p.1316-1319

2018

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Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (PfCDPK-1) by 3D-pharmacophore modelling, and docking studies

SAR and QSAR in environmental research, 2017-05, Vol.28 (5), p.390-414

2017

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Exploration of new drug-like inhibitors for serine/threonine protein phosphatase 5 of Plasmodium falciparum: a docking and simulation study

Journal of biomolecular structure & dynamics, 2015-11, Vol.33 (11), p.2421-2441

2015

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Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial

Journal of biomolecular structure & dynamics, 2022-05, Vol.40 (8), p.3642-3654

2022

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In silico analysis reveals the anti-malarial potential of quinolinyl chalcone derivatives

Journal of biomolecular structure & dynamics, 2015-05, Vol.33 (5), p.961-977

2015

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Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

Journal of biomolecular structure & dynamics, 2016-10, Vol.34 (10), p.2084-2101

2016

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Green synthesized silver nanoparticles of Terminalia bellirica leaves extract: synthesis, characterization, in-silico studies, and antimalarial activity

Oplodiol and nitidine as potential inhibitors of Plasmodium falciparum dihydrofolate reductase: insights from a computational study

Development of potent autophagy inhibitors that sensitize oncogenic BRAF V600E mutant melanoma tumor cells to vemurafenib

Molecular docking and antimalarial evaluation of hybrid para-aminobenzoic acid 1,3,5 triazine derivatives via inhibition of Pf-DHFR

Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculations

Anti-plasmodial activity of aqueous neem leaf extract mediated green synthesis-based silver nitrate nanoparticles

First synthesis of (±)-myristicyclin A

In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy

Identification of natural products against enoyl-acyl-carrier-protein reductase in malaria via combined pharmacophore modeling, molecular docking and simulations studies

In-Silico molecular docking and simulation studies on novel chalcone and flavone hybrid derivatives with 1, 2, 3-triazole linkage as vital inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase

Structure- and ligand-based drug design methods for the modeling of antimalarial agents: a review of updates from 2012 onwards

Exploring potential of Plasmodium RUVBL proteins as anti-malarial drug target

Toxicity profiling and prioritization of plant-derived antimalarial agents

In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5-phosphate reductoisomerase for treatment of Falciparum malaria

Antimalarial potential, LC-MS secondary metabolite profiling and computational studies of Zingiber officinale

An in silico quest for next-generation antimalarial drugs by targeting Plasmodium falciparum hexose transporter protein: a multi-pronged approach

Application of heparin as a dual agent with antimalarial and liposome targeting activities toward Plasmodium -infected red blood cells

Identification of new oxospiro chromane quinoline-carboxylate antimalarials that arrest parasite growth at ring stage

Manzamines: A potential for novel cures

Isolation, structural elucidation and antiplasmodial activity of fucosterol compound from brown seaweed, Sargassum linearifolium against malarial parasite Plasmodium falciparum

Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (PfCDPK-1) by 3D-pharmacophore modelling, and docking studies

Exploration of new drug-like inhibitors for serine/threonine protein phosphatase 5 of Plasmodium falciparum: a docking and simulation study

Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial

In silico analysis reveals the anti-malarial potential of quinolinyl chalcone derivatives

Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

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