In-vitro and in-silico evaluation of rue herb for SARS-CoV-2 treatment

In-vitro and in-silico evaluation of rue herb for SARS-CoV-2 treatment

<p dir="ltr">SARS-CoV-2, a β-coronavirus responsible for the COVID-19 pandemic, has resulted in approximately 4.9 million fatalities worldwide. Despite the urgent need, there is currently no specific therapeutic developed for treating or preventing SARS-CoV-2 infections. The virus en...

Full description

Saved in:

Bibliographic Details
Main Author:	Maliha Khandoker Minu (22224733) (author)
Other Authors:	Md Enamul Kabir Talukder (22224736) (author), Ramzi A. Mothana (9282050) (author), Sk Injamamul Islam (22224739) (author), Abdullah R. Alanzi (17626502) (author), Sidgi Hasson (22224742) (author), Md Irfan Sadique (22224745) (author), Mohammed Arfat Raihan Chowdhury (19325962) (author), Md Shajid Khan (22224748) (author), Foysal Ahammad (9286524) (author), Farhan Mohammad (256409) (author)
Published:	2024
Subjects:	Biological sciences Microbiology Biomedical and clinical sciences Pharmacology and pharmaceutical sciences SARS-CoV-2 Rue herb Molecular docking MD simulation MM-GBSA PCA Pharmacophore modeling Virtual screening Spike glycoprotein ADMET ACE2
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Integrative Ligand-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Simulation Approaches Identified Potential Lead Compounds against Pancreatic Cancer by Targeting FAK1
by: Mohammad Molla (19467889)
Published: (2023)

Identification of novel natural drug candidates against BRAF mutated carcinoma; An integrative in-silico structure-based pharmacophore modeling and virtual screening process
by: F. A. Dain Md Opo (18418845)
Published: (2022)

Antihypertensive potential of <i>Brassica rapa</i> leaves: An in vitro and <i>in silico</i> approach
by: Rohma Abid (21383399)
Published: (2022)

Pharmacophore-Model-Based Virtual-Screening Approaches Identified Novel Natural Molecular Candidates for Treating Human Neuroblastoma
by: F A Dain Md Opo (14123109)
Published: (2022)

Corrigendum: Decreased interfacial dynamics caused by the N501Y mutation in the SARS-CoV-2 S1 spike:ACE2 complex
by: Wesam S. Ahmed (10170053)
Published: (2022)

Decreased Interfacial Dynamics Caused by the N501Y Mutation in the SARS-CoV-2 S1 Spike:ACE2 Complex
by: Wesam S. Ahmed (10170053)
Published: (2022)

The synthetic cathinones MDPHP and MDPV: Comparison of the acute effects in mice, in silico ADMET profiles and clinical reports
by: Marta, Bassi
Published: (2024)

Structure-Based Virtual Screening and Functional Validation of Potential Hit Molecules Targeting the SARS-CoV-2 Main Protease
by: Balasubramanian Moovarkumudalvan (18300811)
Published: (2022)

Hyponatremia and SARS-CoV-2 infection: A narrative review
by: Elmukhtar Habas (14777677)
Published: (2022)

Computational formulation of a multiepitope vaccine unveils an exceptional prophylactic candidate against Merkel cell polyomavirus
by: Raihan Rahman Imon (9286530)
Published: (2023)

COVID-19 and male infertility: An overview of the disease
by: Mohammed Imad Malki (9649555)
Published: (2022)

Angiotensin-converting enzyme 2 (ACE2) polymorphisms and susceptibility of severe SARS-CoV-2 in a subset of Pakistani population
by: Santosh Kumar Sidhwani (16319194)
Published: (2023)

Soluble Neuropilin-1 Response to Hypoglycemia in Type 2 Diabetes: Increased Risk or Protection in SARS-CoV-2 Infection?
by: Abu Saleh Md Moin (6189512)
Published: (2021)

SARS-CoV-2 Infection and Lung Cancer: Potential Therapeutic Modalities
by: Ishita Gupta (9203073)
Published: (2020)

Increased complications of COVID-19 in people with cardiovascular disease: Role of the renin–angiotensin-aldosterone system (RAAS) dysregulation
by: Robin Augustine (3976964)
Published: (2022)

In silico characterization of the novel SDR42E1 as a potential vitamin D modulator
by: Nagham Nafiz Hendi (17064261)
Published: (2024)

Can COVID 19 present like appendicitis?
by: Ahmed Abdalhadi (14152962)
Published: (2020)

Soluble ACE2 and angiotensin II levels are modulated in hypertensive COVID-19 patients treated with different antihypertension drugs
by: Mohamed A. Elrayess (21398687)
Published: (2022)

<i>In silico </i>formulation of a next-generation multiepitope vaccine for use as a prophylactic candidate against Crimean-Congo hemorrhagic fever
by: Rahat Alam (9286527)
Published: (2023)

Flexural strengthening of reinforced concrete beams with CFRP laminates and spike anchors
by: Assad, Maha
Published: (2024)

Shear Strengthening of Reinforced Concrete T-Beams using Carbon Fiber Reinforced Polymer (CFRP) Anchored with CFRP Spikes
by: Abdalla, Jamal A.
Published: (2022)

Effect of water extract of Althaea officinalis flowers on inflammation, gastric ulcer, bacterial activity, platelet aggragation, glycemia, and lipidemia. (c2006)
by: Hage-Sleiman, Rouba
Published: (2006)

Rosmarinus officinalis leaves water extract. (c2007)
by: Kashour, Bassem Mohammad
Published: (2007)

Renin-Angiotensin System overactivation in polycystic ovary syndrome, a risk for SARS-CoV-2 infection?
by: Abu Saleh Md Moin (6189512)
Published: (2020)

Repurposing Nirmatrelvir for Hepatocellular Carcinoma: Network Pharmacology and Molecular Dynamics Simulations Identify HDAC3 as a Key Molecular Target
by: Muhammad Suleman (3829027)
Published: (2025)

Urtica dioica seed extracts. (c2007)
by: Halabi, Marwan Iskandar
Published: (2007)

Urtica dioica water extract and its impact on gastric ulcer and colonic ulcer in the rat model. (c2006)
by: Nachabe, Dany
Published: (2006)

Molecular and Biological Mechanisms Underlying Gender Differences in COVID-19 Severity and Mortality
by: Zena Wehbe (16328843)
Published: (2021)

Effect of Slc35b4 knockdown on total and O-glycosylated cellular proteins in HepG2 cell line. (c2012)
by: Antonios, Gregory
Published: (2012)

Determination of heavy metals contamination in thyme products by inductively coupled plasma mass spectrometry
by: Elias, Akoury
Published: (2022)

The effect of malva sylvestris on inflammation, gastric damage, lipemia, glycemia and microbial growth. (c2006)
by: Sleiman, Na'ama Hassan
Published: (2006)

The effect of Inula Viscosa extract on inflammation, microbial growth, glycemia, and blood lipid profile. (c2005)
by: Zaza, Rola Mouin
Published: (2005)

CFRP U-Wraps and Spike Anchors for Enhancing the Flexural Performance of CFRP-Plated RC Beams
by: Abdalla, Jamal A.
Published: (2023)

Effect of methanolic extract of Quercus infectoria bark on blood lipid profile, glycemia, inflammation, platelet aggregation, ulcer and bacterial activity. (c2005)
by: Khouzami, Lara
Published: (2005)

The effects of daucus carota extracts on different body functions, inflammation, induced gastric ulcer in rats and bacterial growth. (c2005)
by: Abdallah, Katia Wehbe
Published: (2005)

Unexpected Behavior of Chloride and Sulfate Ions upon Surface Solvation of Martian Salt Analogue
by: Nicolas Fauré (19468102)
Published: (2023)

Structure-guided engineering and molecular simulations to design a potent monoclonal antibody to target aP2 antigen for adaptive immune response instigation against type 2 diabetes
by: Abbas Khan (5141000)
Published: (2024)

5G User Equipment Phased Array Antenna Architecture for Millimeter Wave Beamforming Applications
by: ElGhanam, Eiman Ayman Mahmoud
Published: (2018)

Eptifibatide-induced acute profound thrombocytopenia: A case report
by: Mohammed A. Alamin (14182297)
Published: (2022)

Medicinal Phytocompounds as Potential Inhibitors of p300-HIF1α Interaction: A Structure-Based Screening and Molecular Dynamics Simulation Study
by: Muhammad Suleman (3829027)
Published: (2025)