Nadia S. Al‐Kaff

Taibah University

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Musa A. Said

Islamic University of Madinah

Simon N. Covey

Tulane University

Ahlam I. Al‐Sulami

Jeddah University

Youssef Ramli

Mohammed V University

David S. Turner

John Innes Centre

Güneş Demirtaş

Ondokuz Mayıs University

Sobhi M. Gomha

Islamic University of Madinah

Joel T. Mague

Tulane University

Sayed M. Riyadh

Cairo University

Tariq Z. Abolibda

Islamic University of Madinah

Cooperative Institutions

Centre Hospitalier Universitaire de Saint-Pierre

103

John Innes Centre

Norwich Research Park

Agricultural Research Organization

Consejo Superior de Investigaciones Científicas

GTx (United States)

Cornell University

Taibah University

University of Wisconsin–Madison

Agricultural Biotechnology Institute

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Transcriptional and Posttranscriptional Plant Gene Silencing in Response to a Pathogen

Science (1998)

Nadia S. Al‐Kaff Simon N. Covey Maria M. Kreike A. M. Page Rachel Pinder

Plants are able to respond to pathogen attack to restrain development of a systemic infection. The response of Brassica napus (oilseed rape) to systemic infection with the DNA virus cauliflower mosaic virus was shown to result in enhancement and subsequent suppression of viral gene expression in parallel with changes in symptom expression. Transgenes with homology to viral sequences were also affected. This phenomenon, which was shown to be mediated by both transcriptional and posttranscriptional mechanisms, might be related to regulation of highly expressed genetic elements.

Cauliflower mosaic virus

DNA virus

Transcription

10.1126/science.279.5359.2113

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Citations (218)

CCDC 2062620: Experimental Crystal Structure Determination

The Cambridge Structural Database (2021)

Mohcine Missioui Musa A. Said Güneş Demirtaş Joel T. Mague Ahlam I. Al‐Sulami

10.5517/ccdc.csd.cc277b4z

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Synthesis, XRD, HAS, in silico molecular docking studies and biological assessment of novel Schiff base compounds as anti-cancer and antimicrobial agents

Journal of Taibah University for Science (2020)

Musa A. Said Wael S. Al-Harbi Mani Shanmugam Faizah S. Aljohani Nahla Alsayd Bouqellah

In this study, versatile multifunctional Schiff base (SB) derivatives were synthesized. Compounds 1–8 were prepared by a mild condition and were pharmacologically assessed for their role in vitro anti-cancer and their impact on human fibrosarcoma (HT-1080) and cervical cancer cells (HeLa), in addition to their antimicrobial activity regarding fungal strains, gram-positive and gram-negative bacteria. Preliminary in silico study of 1–8 and the standard compound (5-Fluorouracil) was accomplished, using Drug2Way and PASS software. Besides, docking investigations were carried out using Schrödinger software to determine the interaction of p53-MDM2 and pf-DHFR binding affinity for all the compounds. The antimicrobial results exhibited that these novel compounds have modest to good inhibitory action against the tried bacterial and fungal strains. The crystal structures of 2 and 7 have been determined. Hirshfeld Surface Analysis (HSA) is in agreement with the XRD studies. Both compounds have shown enol–imine tautomeric forms as EE isomer.

HeLa

Docking (animal)

10.1080/16583655.2020.1849492

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Citations (3)

Indapamide analogue a promising drug: Synthesis, a novel crystal structure, HSA/DFT/XRD, greener pastures biological study

Journal of Molecular Structure (2023)

Wedad Al Garadi Musa A. Said Güneş Demirtaş Nadia S. Al‐Kaff Joel T. Mague

HOMO/LUMO

Indapamide

10.1016/j.molstruc.2023.136593

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Citations (6)

CCDC 2264521: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Wedad Al Garadi Musa A. Said Güneş Demirtaş Nadia S. Al‐Kaff Joel T. Mague

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc2g0f20

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A possible potential COVID-19 drug candidate: Diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate: Docking of disordered independent molecules of a novel crystal structure, HSA/DFT/XRD and cytotoxicity

Arabian Journal of Chemistry (2021)

Mohcine Missioui Musa A. Said Güneş Demirtaş Joel T. Mague Ahlam I. Al‐Sulami

This study reports the synthesis, characterization and importance of a novel diethyl 2-(2-(2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazono)malonate (MQOAHM). Two independent molecular structures of the disordered MQOAHM have been established by XRD‑single‑crystal analysis in a ratio of 0.596(3)/0.404(3), MQOAHM (a) and MQOAHM (b), respectively. MQOAHM was characterized by means of various spectroscopic tools ESI-MS, IR, 1H &13C NMR analyses. Density Functional Theory (DFT) method, B3LYP, 6-311++G(d,p) basis set was used to optimize MQOAHM molecule. The obtained theoretical structure and experimental structure were superimposed on each other, and the correlation between them was calculated. The Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) were created, and the energy gap between these orbitals was calculated. For analyzing intermolecular interactions, Molecular Electrostatic Potential (MEP) and Hirshfeld Surface Analysis were studied. For a fair comparative study, the two forms of the title compound were docked together with 18 approved drugs and N3 under precisely the same conditions. The disordered molecule structure's binding scores against 7BQY were -7.0 and -6.9 kcal/mol-1 for MQOAHM (a) and MQOAHM (b), respectively. Both the forms show almost identical superimposed structures and scores indicating that the disorder of the molecule, in this study, has no obvious effect. The high binding score of the molecule was attributed to the multi-hydrogen bond and hydrophobic interactions between the ligand and the receptor's active amino acid residues. Worth pointing out here that the aim of using the free energy in Silico molecular docking approach is to rank the title molecule compared to the wide range of approved drugs and a well-established ligand N3. The binding scores of all the molecules used in this study are ranged from -9.9 to -4.5 kcal/mol-1. These results and the supporting statistical analyses suggest that this malonate-based ligand merits further research in the context of possible therapeutic agents for COVID-19. Cheap computational techniques, PASS, Way2drug and ADMET, online software tools, were used in this study to uncover the title compound's potential biological activities and cytotoxicity.

Diethyl malonate

Malonate

Docking (animal)

10.1016/j.arabjc.2021.103595

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Citations (29)

‘Believe it or not, it’s Covid-19': Family perceptions of covid-19 in Palembang, Indonesia

Khodijah Najmah Nadia S. Al‐Kaff S. F. Muharomah Fenny Etrawati Achmad Fickry Faisya

2019-20 coronavirus outbreak

Pandemic

Source

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Pararetrovirus–crucifer interactions: attack and defence or modus vivendi?

Molecular Plant Pathology (2000)

Simon N. Covey D. McCallum David S. Turner Nadia S. Al‐Kaff Phillip J. Dale

Abstract The compatible infection of plants by viruses usually leads to the development of systemic symptoms. Symptom expression of this kind is generally understood to be a host response that indicates an inability of the host to defend itself from attack. We have been studying compatible interactions between the plant pararetrovirus cauliflower mosaic virus (CaMV) and its crucifer hosts in order to understand the relationship between viral activity, symptom expression and plant defence. A CaMV protein (P6) appears to play a major role in eliciting symptom expression. This host response leads to a regulation of the viral multiplication cycle that is associated with leaf mosaics. The host regulation of CaMV appears to operate at the transcriptional level through an effect on the 35S promoter, or at the post-transcriptional level by a process that is akin to gene silencing, and can lead to host recovery depending upon the genetic background of the host. The plant apex is a focus for antiviral defence mechanisms, presumably because viral infection of the apical meristem would rapidly compromise the ability of the plant to generate new leaves and flowers for reproduction. The balance of interactions between CaMV and crucifers can provide a sustainable source of host plants to ensure viral propagation and viral exposure allows the host to adapt and develop its repertoire of defence mechanisms.

Cauliflower mosaic virus

10.1046/j.1364-3703.2000.00011.x

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Citations (15)

Variation in Biological Properties of Cauliflower Mosaic Virus Clones

Journal of General Virology (1994)

Nadia S. Al‐Kaff Simon N. Covey

Infectous clones were prepared from virion DNA of three cauliflower mosaic virus (CaMV) isolates, 11/3, Xinjiang (XJ), and Aust, to investigate pathogenic variation in virus populations. Of 10 infectious clones obtained for isolate 11/3, four pathotypes were identified, each producing symptoms in turnip that differed from those of the 11/3 wild-type. Virus from two clonal groups of 11/3 was transmissible by aphids whereas that from two others was not. Of the five infectious clones obtained from isolate XJ, two groups were identified, one of which differed symptomatically from the wild- type. Only one infectious clone was obtained from isolate Aust and this had properties similar to the wild- type. Restriction enzyme polymorphisms were found in some clonal groups and these correlated with symptoms. Other groups with different pathogenic properties could not be distinguished apart by restriction site polymorphisms. Further variation was observed in the nucleotide sequences of gene II (coding for aphid transmission factor) from these viruses as compared with other CaMV isolates. In the aphid non-transmissible clones of isolate 11/3, one had a Gly to Arg mutation in gene II similar to that of other non-deleted non-transmissible CaMV isolates. The second had a 322 bp deletion at the site of a small direct repeat similar to that of isolate CM4-184 although occurring in a different position. The gene II deletion of isolate 11/3 produced a frame-shift that separated genes II and III by 60 bp. Most CaMV clones studied remained biologically stable producing similar symptoms during subsequent passages. However, one clone (11/3–7) produced two new biotypes during its first passage suggesting that it was relatively unstable. Our results show that wild-type populations of CaMV contain a range of infectious genome variants with contrasting biological properties and differing stability. We suggest that a variety of significant viral phenotypic changes can occur during each infection cycle resulting from relatively small genome changes.

Cauliflower mosaic virus

clone (Java method)

Coding region

10.1099/0022-1317-75-11-3137

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Citations (30)

Author Index

Journal of Biological Chemistry (1998)

Ahre ́n Jerry Alexandratos María Alejandra Nadia S. Al‐Kaff Osvaldo Álvarez

10.1016/s0021-9258(19)58884-6

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