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1.
Antivir Ther ; 29(3): 13596535241255199, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38801671

RESUMO

Background: Monkeypox has emerged as a noteworthy worldwide issue due to its daily escalating case count. This illness presents diverse symptoms, including skin manifestations, which have the potential to spread through contact. The transmission of this infectious agent is intricate and readily transfers between individuals.Methods: The hypothetical protein MPXV-SI-2022V502225_00135 strain of monkeypox underwent structural and functional analysis using NCBI-CD Search, Pfam, and InterProScan. Quality assessment utilized PROCHECK, QMEAN, Verify3D, and ERRAT, followed by protein-ligand docking, visualization, and a 100-nanosecond simulation on Schrodinger Maestro.Results: Different physicochemical properties were estimated, indicating a stable molecular weight (49147.14) and theoretical pI (5.62) with functional annotation tools predicting the target protein to contain the domain of Chordopox_A20R domain. In secondary structure analysis, the helix coil was found to be predominant. The three-dimensional (3D) structure of the protein was obtained using a template protein (PDB ID: 6zyc.1), which became more stable after YASARA energy minimization and was validated by quality assessment tools like PROCHECK, QMEAN, Verify3D, and ERRAT. Protein-ligand docking was conducted using PyRx 9.0 software to examine the binding and interactions between a ligand and a hypothetical protein, focusing on various amino acids. The model structure, active site, and binding site were visualized using the CASTp server, FTsite, and PyMOL. A 100 nanosecond simulation was performed with ligand CID_16124688 to evaluate the efficiency of this protein.Conclusion: The analysis revealed significant binding interactions and enhanced stability, aiding in drug or vaccine design for effective antiviral treatment and patient management.


Assuntos
Simulação de Acoplamento Molecular , Monkeypox virus , Proteínas Virais , Proteínas Virais/química , Proteínas Virais/metabolismo , Monkeypox virus/química , Simulação por Computador , Humanos , Ligantes , Ligação Proteica , Domínios Proteicos , Simulação de Dinâmica Molecular , Conformação Proteica , Modelos Moleculares , Relação Estrutura-Atividade , Sítios de Ligação
2.
Front Microbiol ; 14: 1118525, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36819052

RESUMO

Four new species of Agaricales from China viz. Hohenbuehelia tomentosa, Rhodophana qinghaiensis, Rhodophana aershanensis, and Spodocybe tomentosum are described based on their unique morphological features and molecular evidence. Hohenbuehelia tomentosa is mainly characterized by its dark brown pileus with finely dense pure white tomentum, dirty white, decurrent lamellae, eccentric stipe, smooth spores, and fusiform metuloid cystidia. The characteristics of Rhodophana qinghaiensis are glabrous, smooth, reddish-brown pileus, gray-orange lamellae, and initially light orange becoming reddish brown stipe. The unique morphological characteristics of Rhodophana aershanensis are reddish brown pileus with age, brown-orange toward the margin, light orange lamellae and stipe dark brown at first, and reddish-brown with age. Spodocybe tomentosum is characterized by subclitocyboid and small basidiomes, finely dense pure white tomentum on the pileus surface, and broadly ellipsoid to ellipsoid and smaller basidiospores. Phylogenetic analysis showed that Hohenbuehelia tomentosa, Rhodophana qinghaiensis, Rhodophana aershanensis, and Spodocybe tomentosum formed an independent lineage. Full descriptions, illustrations, and phylogenetic trees of the four new species are provided in this study.

3.
MycoKeys ; 51: 15-28, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31048985

RESUMO

The type of Rossbeeverabispora and additional collections from the type location and adjacent areas were studied. Molecular data for R.bispora derived from the new collections are provided. In addition, R.griseobrunnea, a new species of Rossbeevera, is described from Xiangtoushan National Nature Reserve, Guangdong Province of China. The new species is characterized by its globose to subglobose sequestrate basidiomata with grayish white to grayish brown pileus, pale bluish discoloration in some parts of the hymenophore when injured becoming rusty brown to dark brown after being exposed to the air, fusoid (star-shaped in cross section) basidiospores 17-20 × 9-12 µm, and subcutis elements in the pileus. Based on multi-locus (ITS+nrLSU+tef1-α+rpb2) molecular phylogenetic analyses, both species appear as sister to R.paracyanea. We present color photos, macro- and micro-description, SEM basidiospores, molecular affinities of the species and compare them with morphologically similar taxa within the genus. A key to the species known from northern and southern hemispheres is provided.

4.
MycoKeys ; (37): 73-92, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-30150881

RESUMO

Amanitatullossiana, a new species of Amanita [subgenus Lepidella] section Lepidella from India is described. The species is characterised by its ash grey to brownish-grey pileus covered with dark grey to greyish-black universal veil remnants, the upper part of its rooting stipe base covered by several rows of recurved scales, broadly ellipsoid to ellipsoid basidiospores, absence of basidial clamp connections and pileal remnants of universal veil comprising abundant, disordered inflated cells intermixed with scattered filamentous hyphae. Molecular phylogenetic analysis and morphology both support the association of A.tullossiana with species of Bas' stirps Cinereoconia - A.cinereoconia and A.griseoverrucosa. Two species, A.griseoverrucosa and A.virgineoides are reported here as new records for India.

5.
MycoKeys ; (28): 1-18, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-29559820

RESUMO

Xanthagaricus flavosquamosus and X. necopinatus, two new species of Agaricaceae, are described and illustrated from Asia. Macroscopically, both species are closely related to each other, but there are obvious micromorphological and molecular differences between them. Morphological and phylogenetic data showed that the two new species are distinct from other known species of the genus Xanthagaricus. Xanthagaricus flavosquamosus from China is characterized by its small, yellow basidiomata, short clavate cheilocystidia, epithelial pileipellis, and verrucose basidiospores measuring 5-5.5 × 3-3.5 µm. Xanthagaricus necopinatus from Bangladesh is characterized by having small, yellow basidiomata, a fugacious annulus, clavate to narrowly clavate cheilocystidia, epithelial pileipellis, and rugulose-rough basidiospores measuring 4-5 × 2.7-3.2 µm. In addition to the new species, a Heinemannomyces collection from China is reported. Morphological data and molecular phylogenetic analyses fully support the Chinese collection being Heinemannomyces splendidissimus, a species of Agaricaceae, originally described from Southeast Asia. Detailed descriptions, color photos and illustrations of the three species are presented. A key to the genus Xanthagaricus occurring in Bangladesh and China is provided.

6.
PLoS One ; 7(5): e37567, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-22629418

RESUMO

The wild gourmet mushroom Boletus edulis and its close allies are of significant ecological and economic importance. They are found throughout the Northern Hemisphere, but despite their ubiquity there are still many unresolved issues with regard to the taxonomy, systematics and biogeography of this group of mushrooms. Most phylogenetic studies of Boletus so far have characterized samples from North America and Europe and little information is available on samples from other areas, including the ecologically and geographically diverse regions of China. Here we analyzed DNA sequence variation in three gene markers from samples of these mushrooms from across China and compared our findings with those from other representative regions. Our results revealed fifteen novel phylogenetic species (about one-third of the known species) and a newly identified lineage represented by Boletus sp. HKAS71346 from tropical Asia. The phylogenetic analyses support eastern Asia as the center of diversity for the porcini sensu stricto clade. Within this clade, B. edulis is the only known holarctic species. The majority of the other phylogenetic species are geographically restricted in their distributions. Furthermore, molecular dating and geological evidence suggest that this group of mushrooms originated during the Eocene in eastern Asia, followed by dispersal to and subsequent speciation in other parts of Asia, Europe, and the Americas from the middle Miocene through the early Pliocene. In contrast to the ancient dispersal of porcini in the strict sense in the Northern Hemisphere, the occurrence of B. reticulatus and B. edulis sensu lato in the Southern Hemisphere was probably due to recent human-mediated introductions.


Assuntos
Agaricales/genética , DNA Mitocondrial/genética , Variação Genética , Filogenia , Agaricales/classificação , Evolução Molecular , Análise de Sequência de DNA
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