Re-emergence of neglected tropical diseases amid the COVID-19 pandemic: Epidemiology, transmission, mitigation strategies, and recent advances in chemotherapy and vaccines DOI
Ranjan K. Mohapatra, Véronique Seidel,

Venkataramana Kandi

et al.

Frontiers research topics, Journal Year: 2023, Volume and Issue: unknown

Published: Jan. 1, 2023

it is a pioneering approach to the world of academia, radically improving way scholarly research managed.The grand vision Frontiers where all people have an equal opportunity seek, share and generate knowledge.Frontiers provides immediate permanent online open access its publications, but this alone not enough realize our goals. journal seriesThe series multi-tier interdisciplinary set openaccess, journals, promising paradigm shift from current review, selection dissemination processes in academic publishing.All journals are driven by researchers for researchers; therefore, they constitute service community.At same time, operates on revolutionary invention, tiered publishing system, initially addressing specific communities scholars, gradually climbing up broader public understanding, thus serving interests lay society, too. Dedication qualityEach article landmark highest quality, thanks genuinely collaborative interactions between authors review editors, who include some world's best academicians.Research must be certified peers before entering stream knowledge that may eventually reach -and shape society; only applies most rigorous unbiased reviews.Frontiers revolutionizes freely delivering outstanding research, evaluated with no bias both social point view.By applying advanced information technologies, catapulting into new generation.

Language: Английский

Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach DOI Creative Commons
Ranjan K. Mohapatra, Ahmed Mahal, Azaj Ansari

et al.

Journal of Biosafety and Biosecurity, Journal Year: 2023, Volume and Issue: 5(3), P. 118 - 132

Published: Sept. 1, 2023

The mpox (previously monkeypox) outbreak in more than 100 non-endemic countries 2022 posed a serious global health concern. Mpox is emerging as public threat from seemingly neglected disease. A42R profilin-like protein virus (PDB ID: 4QWO) could be preferred target lead. binding affinity of commonly used drugs/mAbs (tecovirimat, brincidofovir, cidofovir) for was examined silico through molecular docking. Further, the results were compared with those phytochemicals curcumin, rutin, and theaflavin. Tecovirimat (−7.31 kcal/mol, IC50 = 4.39 µM) theaflavin (−6.99 7.54 had highest affinities. Molecular dynamics simulation theaflavin–4QWO complex performed to ascertain stability ligand–protein interactions natural charge, electrostatic potential, frontier orbital analyses. predicted QSAR pharmacokinetic properties all compounds evaluated find suitable candidate designing developing new drugs. log P values brincidofovir tecovirimat higher other drugs study. Theaflavin an impressive 4.77, which hints at its high biological activity. findings recommend further vitro experimental validation develop potential low-cost therapies.

Language: Английский

Citations

58
Plant-derived molecules in monkeypox management: insight and alternative therapeutic strategies DOI Creative Commons
Martin Ndayambaje, Emmanuel Munyeshyaka,

Olive Dieumerci

et al.

Beni-Suef University Journal of Basic and Applied Sciences, Journal Year: 2025, Volume and Issue: 14(1)

Published: Feb. 19, 2025

Abstract The WHO and CDC recently declared monkeypox virus (MPXV) a zoonotic disease known as (Mpox) Public Health Emergency of International Concern. According to the CDC, no treatment is specifically approved for Mpox infections. Medicinal plants are crucial in healthcare economic development, particularly low- middle-income countries. This review offers valuable insights into pathogenesis management through therapeutic approaches vaccination strategies using plant-based molecules. Core structural proteins necessary both viral entry immune response, including A29, H3L, L1R, involved MPXV. Potential targets vaccines include like A35R B6R, which essential propagation viruses. MPXV evades system by concealing its DNA, suppressing interferon limiting T NK cell activation, preventing apoptosis, complicating vaccine development. Antivirals (tecovirimat, brincidofovir) vaccinations (JYNNEOS, ACAM2000) manage Mpox. A recent study revealed early clinical trial results, indicating that antiviral drug tecovirimat, well-known conventional treatment, more effective than placebo against clade I type Research gaps, low effectiveness, availability challenges. novel perspective on combating global threat investigating alternative centered plant-derived compounds. Graphical

Language: Английский

Citations

1
Pharmacological treatment and vaccines in monkeypox virus: a narrative review and bibliometric analysis DOI Creative Commons
Muhammad Aaqib Shamim, Prakasini Satapathy, Bijaya Kumar Padhi

et al.

Frontiers in Pharmacology, Journal Year: 2023, Volume and Issue: 14

Published: May 5, 2023

Mpox (earlier known as monkeypox) virus infection is a recognized public health emergency. There has been little research on the treatment options. This article reviews specific drugs used to treat mpox and vaccines here. Instead of focusing mechanistic basis, this review narrates practical, real-life experiences individual patients disease being administered these medicines. We conducted bibliometric analysis using data from several databases like PubMed, Scopus, Embase. The topic grown tremendously recently but it highly concentrated in few countries. Cidofovir most studied drug. because indicated also off-label for conditions. include tecovirimat, cidofovir, brincidofovir, vaccinia immune globulin, trifluridine. Tecovirimat frequently. It promising option progressive terms both efficacy safety. Brincidofovir associated with discontinuation due elevated hepatic enzymes. not preferred drug, often unavailability tecovirimat. Trifluridine topically an add-on agent along tecovirimat ocular manifestations disease. No study reports patient globulin. Though no vaccine currently approved infection, ACAM 2000 JYNNEOS are mainly considered. capable replicating may cause severe adverse reactions. when contraindicated. Several under development have discussed alongside pragmatic aspects prevention. Further studies can provide more insight into safety actively progressing

Language: Английский

Citations

16
Identification of potential drug molecules against fibroblast growth factor receptor 3 (FGFR3) by multi-stage computational-biophysics correlate DOI
Sajjad Ahmad, Taghreed N. Almanaa, Saifullah Khan

et al.

Journal of Biomolecular Structure and Dynamics, Journal Year: 2023, Volume and Issue: unknown, P. 1 - 9

Published: Dec. 8, 2023

The fibroblast growth factor receptor 3 (FGFR3) is warranted as a promising therapeutic target in bladder cancer it described 75% of papillary tumors. Considering this, the present study was conducted to use different approaches computer-aided drug discovery (CADD) identify best binding compounds against active pocket FGFR3. Compared control pyrimidine derivative, identified three lead structures; BDC_24037121, BDC_21200852, and BDC_21206757 with energy value −14.80 kcal/mol, −12.22 −11.67 respectively. molecule score −9.85 kcal/mol. achieved deep produced balanced interactions hydrogen bonds van der Waals. FGFR3 enzyme residues such Leu478, Lys508, Glu556, Asn562, Asn622, Asp635. molecular dynamic (MD) simulation studies additionally validated docked conformation stability respect mean root square deviation (RMSD) < Å. fluctuation (RMSF) complements complexes structural showed less presence compounds. Poisson–Boltzmann or generalized Born surface area continuum solvation (MM/PBSA MM/GBSA) methods revalidated better highlighted Waals dominate overall net energy. confirmed by WaterSwap AMBER normal mode entropy analyses. In nutshell, shortlisted this are term theoretical affinity for but experimental validation needed.

Language: Английский

Citations

11
Advancements in Dermatological Applications of Curcumin: Clinical Efficacy and Mechanistic Insights in the Management of Skin Disorders DOI Creative Commons

Zhiming Mo,

Jiayi Yuan,

Xuelian Guan

et al.

Clinical Cosmetic and Investigational Dermatology, Journal Year: 2024, Volume and Issue: Volume 17, P. 1083 - 1092

Published: May 1, 2024

Abstract: Curcumin, derived from Curcuma longa (turmeric), exhibits significant potential in dermatology, addressing conditions like atopic dermatitis, psoriasis, chronic wounds, skin cancer, and infections through its anti-inflammatory, antioxidant, anticancer, antimicrobial properties. This review synthesizes evidence on curcumin's mechanisms, including modulation of immune responses promotion wound healing, showcasing efficacy reducing inflammation, cytokine levels, enhancing barrier functions. Studies highlight ability to selectively target tumor cells, suggesting a multifaceted approach cancer therapy with minimal side effects. Despite promising therapeutic benefits, challenges remain bioavailability, potency, targeted delivery, underscoring the need for further research optimize dosages, delivery methods, assess long-term safety. The integration curcumin into dermatological practice requires balanced consideration evidence-based Curcumin's comprehensive utility coupled necessity advanced scientific exploration, emphasizes importance combining traditional knowledge contemporary improve patient care dermatology. could significantly enhance outcomes individuals skin-related conditions, marking as versatile agent field. Keywords: curcumin,

Language: Английский

Citations

4
La curcumina y sus derivados como posibles candidatos antivirales contra la viruela del mono (mpox): una revisión de estudios computacionales DOI Creative Commons
Fiki Muhammad Ridho,

Anisa Dias Nur’aini,

Hamnah Al Atsariyah

et al.

Ars Pharmaceutica (Internet), Journal Year: 2025, Volume and Issue: 66(2), P. 225 - 232

Published: March 19, 2025

Introduction: Monkeypox (mpox) is an infectious disease caused by the mpox virus that of global health concern because outbreak, as May 2023, has affected more than 80,000 people in hundreds countries. Currently, there no specific treatment, including antivirals, for patients. Exploration active compounds continues, one which curcumin and its derivatives. Curcumin a polyphenol compound predominantly found turmeric been documented to have antiviral effects. Therefore, this study aims explore studies investigating potential derivatives candidates targeting mpox. Method: Literature published from inception 2024 ScienceDirect, PubMed, Scopus, Google Scholar was searched. Keywords used search included curcuma, curcumin, tetrahydrocurcumin, demethoxycurcumin, bisdemethoxycurcumin, turmeric, monkeypox, Results: The literature results five computational involving derivatives, tetrahydroxycurcumin demethoxycurcumin. All showed better binding affinity with proteins compared control several antivirals. strong inhibiting replication modulating immune system. Conclusions: This review concludes However, related remain limited confined studies. Further preclinical experimental clinical are needed confirm their effectiveness mechanisms action.

Language: Английский

Citations

0
Role of structure-based drug design (SBDD) in the repurposing and discovery of anti-viral leads against Monkeypox virus disease DOI Creative Commons

Jihane Touhtouh,

Fettouma Chraa,

Doha El Meskini

et al.

Results in Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 102317 - 102317

Published: May 1, 2025

Language: Английский

Citations

0
In silico Evaluation of the Potential of Natural Products from Chili Pepper as Antiviral Agents Against Dna-Directed Rna Polymerase of the Monkeypox Virus DOI Open Access
Özkan Fidan, Somdutt Mujwar

Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, Journal Year: 2024, Volume and Issue: 13(1), P. 277 - 291

Published: March 20, 2024

This study focused on the discovery of new drug candidates effective against monkeypox virus. Virtual screening was performed to evaluate potential chili pepper natural products homology-modeled DNA-directed RNA polymerase virus using molecular docking. Our findings revealed that structurally similar triterpenes such as α-amyrin, β-amyrin, and β-sitosterol had strong binding affinities towards can inhibit this pivotal viral enzyme. The stability one candidate molecules, α-amyrin with strongest affinity cavity enzyme also confirmed via dynamics simulation. showed is a promising inhibitor treat disease. It paves way for idea dietary supplement patients.

Language: Английский

Citations

2
Bioprospection for antiviral compounds from selected medicinal plants against RNA polymerase of rotavirus A using molecular modelling and density functional theory DOI Creative Commons
Adedayo Ayodeji Lanrewaju, Abimbola M. Enitan, Saheed Sabiu

et al.

Chemical Physics Impact, Journal Year: 2024, Volume and Issue: unknown, P. 100745 - 100745

Published: Sept. 1, 2024

Language: Английский

Citations

1
Structure-based drug designing for potential antiviral activity of selected natural product against Monkeypox (Mpox) virus and its host targets DOI

Vimal K. Maurya,

Swatantra Kumar,

Shivani Maurya

et al.

VirusDisease, Journal Year: 2024, Volume and Issue: 35(4), P. 589 - 608

Published: Nov. 29, 2024

Language: Английский

Citations

1