Search Results - "Fatmi, M."
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Discovering Potential Bacteriocins Against Pseudomonas fragi: a Subtractive Proteomics and Molecular Dynamic Simulation Study for Food Preservation
Published in Applied biochemistry and biotechnology (01-05-2024)“…Food preservation is a schematic and scientific procedure employed for the maintenance and improvement of food’s quality, shelf life, and nutritional value…”
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Structural and dynamical thermostability of psychrophilic enzyme at various temperatures: Molecular dynamics simulations of tryptophan synthase
Published in Archives of biochemistry and biophysics (15-03-2019)“…Mesophilic enzymes are among the most frequently used biocatalysts, however, psychrophilic enzymes are crucially important for their use in heat-sensitive…”
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Computational medicinal chemistry applications to target Asian-prevalent strain of hepatitis C virus
Published in RSC advances (11-10-2023)“…Hepatitis C Virus (HCV), affecting millions of people worldwide, is the leading cause of liver disorder, cirrhosis, and hepatocellular carcinoma. HCV is…”
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Sharing of quorum-sensing signals and role of interspecies communities in a bacterial plant disease
Published in The ISME Journal (01-12-2011)“…Pathogenic bacteria interact not only with the host organism but most probably also with the resident microbial flora. In the knot disease of the olive tree (…”
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Virtual screening of eighteen million compounds against dengue virus: Combined molecular docking and molecular dynamics simulations study
Published in Journal of molecular graphics & modelling (01-05-2016)“…[Display omitted] •There is an urgent need to discover and design better potential inhibitors against Dengue virus.•NS3 protease is one of the potential…”
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Synthesis of novel derivatives of oxindole, their urease inhibition and molecular docking studies
Published in Bioorganic & medicinal chemistry letters (15-08-2015)“…[Display omitted] We synthesized a series of novel 5–24 derivatives of oxindole. The synthesis started from 5-chlorooxindole, which was condensed with methyl…”
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Ab-initio Study of structural, elastic, electronic and optical properties of hexahalometallate single crystals K2XBr6(X = Se, Pt)
Published in Scientific reports (18-05-2022)“…Some physical properties of hexahalometallate K 2 XBr 6 (X = Se, Pt) were computed in the zinc blend structure using GGA-PBESOL. The cell constant of K 2 SeBr…”
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Prediction study of the structural, elastic, electronic, dynamic, optical and thermodynamic properties of cubic perovskite BiGaO3
Published in Bulletin of materials science (01-09-2022)“…Some fundamental physical properties of BiGaO 3 were investigated under pressure and temperature effect using GGA and LDA. The effect of orientation on Debye…”
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Natural products can be potential inhibitors of metalloproteinase II from Bacteroides fragilis to intervene colorectal cancer
Published in Heliyon (30-06-2024)“…Bacteroides fragilis, a gram negative and obligate anaerobe bacterium, is a member of normal gut microbiota and facilitates many essential roles being…”
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The role of oligomerization and cooperative regulation in protein function: the case of tryptophan synthase
Published in PLoS computational biology (01-11-2010)“…The oligomerization/co-localization of protein complexes and their cooperative regulation in protein function is a key feature in many biological systems. The…”
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Combined effect of SEBS-g-MAH and OMMT on morphological, thermal and mechanical properties of SAN/EPDM (80/20) blends
Published in Journal of polymer research (2024)“…The objective of this investigation is to enhance the compatibility between the poly (styrene-co-acrylonitrile) (SAN) and ethylene-propylene-diene monomer…”
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Effect of functional on structural, elastic stability, optoelectronic and thermoelectric characteristics of semiconducting MgX2Se4 (X = Lu, Y) spinels
Published in Bulletin of materials science (18-05-2024)“…Effect of functional on structural, elastic, optoelectronic and thermoelectric characteristics of semiconducting MgX 2 Se 4 (X = Lu, Y) spinels has been…”
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First-principles calculations on structural, elastic, electronic, optical and thermal properties of CsPbCl3 perovskite
Published in Physica. B, Condensed matter (15-04-2011)“…The structural, elastic, electronic, optical and thermal properties of the semiconductor perovskite CsPbCl3 were investigated using the pseudo-potential plane…”
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14
High prevalence of G3 rotavirus in hospitalized children in Rawalpindi, Pakistan during 2014
Published in PloS one (30-04-2018)“…Rotavirus A species (RVA) is the leading cause of severe diarrhea among children in both developed and developing countries. Among different RVA G types,…”
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Prediction study of structural, thermal, and optical characterization of Co0.6Zn0.4Fe2O4 cubic spinel synthesized via sol–gel method for energy storage
Published in Journal of the Korean Physical Society (2024)“…In this comprehensive study, we synthesized Co 0.6 Zn 0.4 Fe 2 O 4 cubic spinel via the sol–gel method and characterized its structural, thermal, and optical…”
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Antiprotozoal Activity of Thymoquinone (2-Isopropyl-5-methyl-1,4-benzoquinone) for the Treatment of Leishmania major-Induced Leishmaniasis: In Silico and In Vitro Studies
Published in Antibiotics (Basel) (06-09-2022)“…Leishmaniasis, a neglected tropical parasitic disease (NTPD), is caused by various Leishmania species. It transmits through the bites of the sandfly. The…”
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Meta-Analysis of miRNAs and Their Involvement as Biomarkers in Oral Cancers
Published in BioMed research international (01-01-2018)“…Oral Squamous Cell Carcinoma (OSCC) is one of the most common cancers worldwide. Recent studies have highlighted the role of miRNA in disease pathology,…”
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Computational Docking Study of p7 Ion Channel from HCV Genotype 3 and Genotype 4 and Its Interaction with Natural Compounds
Published in PloS one (01-06-2015)“…The current standard care therapy for hepatitis C virus (HCV) infection consists of two regimes, namely interferon-based and interferon-free treatments. The…”
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Reactivation potency of two novel oximes (K456 and K733) against paraoxon-inhibited acetyl and butyrylcholinesterase: In silico and in vitro models
Published in Chemico-biological interactions (01-09-2019)“…Organophosphates (OPs) irreversibly inhibit acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. The reactivation of these inhibited enzymes…”
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Study of the Structural, Elastic, Electronic and Optical Properties of the Ternary Acetylides A2MC2 (A = Na, K) and (M = Pb, Pt)
Published in Journal of the Korean Physical Society (01-11-2019)“…We studied the ternary acetylides A 2 MC 2 (A = Na, K) and (M = Pb, Pt) with trigonal structures by using the density functional theory (DFT) as implemented in…”
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