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Article ; Online: Identification of novel genes by targeted exome sequencing in Retinoblastoma.

Bisht, Shilpa / Chawla, Bhavna / Kumar, Amit / Vijayan, Viswanathan / Kumar, Manoj / Sharma, Pradeep / Dada, Rima

2022 Volume 43, Issue 6, Page(s) 771–788

Abstract: Background: Retinoblastoma (RB) is initiated by mutation in both alleles of : Methodology: The current study was planned to utilize targeted exome sequencing in Indian RB patients affected with unilateral non-familial RB. 75 unilateral RB patients ... ...

Abstract	Background: Retinoblastoma (RB) is initiated by mutation in both alleles of Methodology: The current study was planned to utilize targeted exome sequencing in Indian RB patients affected with unilateral non-familial RB. 75 unilateral RB patients below 5 years of age were enrolled. Genomic DNA was extracted from blood and tumor tissue. From peripheral blood DNA, all coding and exon/intron regions were amplified using PCR and direct sequencing. Cases which did not harbor pathogenic variants in peripheral blood DNA were further screened for mutations in their tumor tissue DNA using targeted exome sequencing. Three pathogenicity prediction tools (Mutation Taster, SIFT, and PolyPhen-2) were used to determine the pathogenicity of non-synonymous variations. An in-house bioinformatics pipeline was devised for the mutation screening by targeted exome sequencing. Protein modeling studies were also done to predict the effect of the mutations on the protein structure and function. Results: Using the mentioned approach, we found two novel variants (g.69673_69674insT and g.48373314C>A) in Conclusion: The present study expands our current knowledge regarding the genomic landscape of RB and also highlights the importance of NGS technologies to detect genes and novel variants that may play an important role in cancer initiation, progression, and prognosis.
MeSH term(s)	Humans ; Retinoblastoma/pathology ; Exome Sequencing ; Mutation ; Genes, Retinoblastoma/genetics ; DNA Mutational Analysis ; Retinal Neoplasms/pathology ; Proteins/genetics ; ADP-Ribosylation Factors/genetics ; Tumor Suppressor Proteins/genetics ; SOX Transcription Factors/genetics
Chemical Substances	OTOR protein, human ; Proteins ; ARL11 protein, human (EC 3.6.5.2) ; ADP-Ribosylation Factors (EC 3.6.5.2) ; SOX30 protein, human ; Tumor Suppressor Proteins ; SOX Transcription Factors
Language	English
Publishing date	2022-08-05
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1199279-7
ISSN	1744-5094 ; 0167-6784 ; 1381-6810
ISSN (online)	1744-5094
ISSN	0167-6784 ; 1381-6810
DOI	10.1080/13816810.2022.2106497
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Article ; Online: Crystal structures and Hirshfeld surface analyses of 4,4′-{[1,3-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde) and 4,4′-{[(1,4-phenylenebis(methylene)]bis(oxy)}bis(3-methoxybenzaldehyde)

Saleem Iqbal / Vijayan Viswanathan / Devadasan Velmurugan / Tamilselvan Abiraman / Sengottuvelan Balasubramanian / Krishnasamy Gunasekaran

Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 875-

2019 Volume 879

Abstract: The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a molecule in the asymmetric unit. The whole molecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bisecting the central benzene ring. The ... ...

Abstract	The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a molecule in the asymmetric unit. The whole molecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bisecting the central benzene ring. The whole molecule of compound (II) is generated by inversion symmetry, the central benzene ring being located on an inversion center. In (I), the outer benzene rings are inclined to each other by 59.96 (10)° and by 36.74 (9)° to the central benzene ring. The corresponding dihedral angles in (II) are 0.0 and 89.87 (12)°. In the crystal of (I), molecules are linked by C—H.O hydrogen bonds and C—H.π interactions, forming ribbons propagating along the [10\overline{1}] direction. In the crystal of (II), molecules are linked by C—H.O hydrogen bonds, forming a supramolecular framework. The Hirshfeld surface analyses indicate that for both compounds the H.H contacts are the most significant, followed by O.H/H.O and C.H/H.C contacts.
Keywords	crystal structure ; vanillin ; 4-hydroxy-3-methoxybenzaldehyde ; hydrogen bonding ; C—H.O hydrogen bonds ; C—H.π interactions ; supramolecular framework ; Hirshfeld surface analysis ; fingerprint plots ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2019-06-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
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Article ; Online: Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate

Vijayan Viswanathan / Mani Karthik Ananth / S. Narasimhan / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 1, Pp 20-

2017 Volume 23

Abstract: In the title compounds, C11H13N3O2S, (I), and C16H15N3O2S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes ...

Abstract	In the title compounds, C11H13N3O2S, (I), and C16H15N3O2S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are inclined to one another by 46.70 (7)°. In both compounds, there is a short intramolecular N—H.N contact present, forming an S(5) ring motif. In the crystals of both compounds, molecules are linked via pairs of N—H.S hydrogen bonds, forming dimers with R22(8) ring motifs. The dimers are linked by N—H.S and N—H.O hydrogen bonds, forming slabs parallel to (01-1). In (I), there are N—H.π and C—H.π interactions present within the slabs, while in (II), there are only N—H.π interactions present.
Keywords	crystal structure ; carbamothioylhydrazono ; thiosemicarbazone ; N—H.S and N—H.O hydrogen bonds ; hydrogen bonding ; N—H.π and C—H.π interactions ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2017-01-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
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Article ; Online: Crystal structure of 2-{[(naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole

Muniyappan Govindhan / Kathavarayan Subramanian / Vijayan Viswanathan / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 3, Pp o190-o

2015 Volume 191

Abstract: In the title compound C19H11F3N2O2, the oxadiazole ring and the naphthalene ring system are approximately planar (r.m.s. deviations of 0.001 and 0.020 Å, respectively) and the oxadiazole ring makes dihedral angles of 13.11 (1) and 7.59 (1)° with the ... ...

Abstract	In the title compound C19H11F3N2O2, the oxadiazole ring and the naphthalene ring system are approximately planar (r.m.s. deviations of 0.001 and 0.020 Å, respectively) and the oxadiazole ring makes dihedral angles of 13.11 (1) and 7.59 (1)° with the naphthalene ring system and the trifluorophenyl ring, respectively. In the crystal, C—H.N hydrogen bonds link molecules into chains along the a-axis direction, while C—H.F contacts form additional chains along the ac diagonal. These contacts generate sheets of molecules approximately parallel to the (011) plane.
Keywords	crystal structure ; naphthalen-1-yloxy ; trifluorophenyl ; 1,3,4-oxadiazole ; hydrogen bonding ; Chemistry ; QD1-999
Language	English
Publishing date	2015-03-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Crystal structure of 15-(2-chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1′,8′:1,2,3]pyrrolo[3′,2′:8,8a]azuleno[5,6-b]quinolin-14(15H)-one

J. M. Joseph / Vijayan Viswanathan / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp o1091-o

2015 Volume 1092

Abstract: In the title compound, C34H25ClN2O2, the fused pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The two adjacent cyclopentane rings also adopt envelope conformations. The mean plane of the pyrrolidine ring makes dihedral ... ...

Abstract	In the title compound, C34H25ClN2O2, the fused pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The two adjacent cyclopentane rings also adopt envelope conformations. The mean plane of the pyrrolidine ring makes dihedral angles of 40.53 (10) and 80.23 (10)° with the mean planes of the cyclopentane rings. The dihedral angle between the mean planes of the cyclopentane rings is 46.71 (9)°. An intramolecular O—H.N hydrogen bond is observed. In the crystal, molecules are linked by C—H.O, C—H.N and C—H.π interactions, forming a layer parallel to (10-2).
Keywords	crystal structure ; pyrrolidine derivative ; hydrogen bonding ; Chemistry ; QD1-999
Language	English
Publishing date	2015-12-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
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Article ; Online: Crystal structures of two 2,9-dithia-13-azadispiro[4.1.47.35]tetradecan-6-ones

Vijayan Viswanathan / Shanmugavel Bharkavi / Subbu Perumal / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp 1516-

2015 Volume 1520

Abstract: In the title compounds 4,11-dihydroxy-13-methyl-1,8-di-p-tolyl-2,9-dithia-13- azadispiro[4.1.47.35]tetradecan-6-one, C26H31NO3S2, (I), and 13-benzyl-4,11-dihydroxy-1,8-bis(4-methylphenyl)-2,9-dithia-13-azadispiro[4.1.47.35]tetradecan-6-one, C32H35NO3S2, ( ...

Abstract	In the title compounds 4,11-dihydroxy-13-methyl-1,8-di-p-tolyl-2,9-dithia-13- azadispiro[4.1.47.35]tetradecan-6-one, C26H31NO3S2, (I), and 13-benzyl-4,11-dihydroxy-1,8-bis(4-methylphenyl)-2,9-dithia-13-azadispiro[4.1.47.35]tetradecan-6-one, C32H35NO3S2, (II), the piperidine rings adopt distorted chair conformations. The thiophene rings in (I) have envelope conformations, with the spiro C atoms as the flaps. In (II), one thiophene ring (D) has an envelope conformation, with the hydroxy-substituted C atom as the flap, while the other thiophene ring (E) has a twisted conformation on the C—C bond involving the spiro C atom and the toluyl-substituted C atom. In (I), the mean plane of the piperidine ring makes dihedral angles of 75.16 (9) and 73.33 (8)° with the mean planes of the thiophene rings (D and E), respectively. In (II), the corresponding dihedral angles are 70.95 (11) and 77.43 (12)°. In both compounds, there is an intramolecular O—H.O hydrogen bond forming an S(6) ring motif. In the crystal of (I), molecules are linked via O—H.N and C—H.O hydrogen bonds, forming chains along [010]. There are also π–π interactions present involving inversion-related benzene rings, linking the chains to form slabs parallel to (100). In the crystal of (II), molecules are linked via O—H.O hydrogen bonds, forming inversion dimers with an R44(8) ring motif. The dimers are linked by C—H.π interactions, forming slabs parallel to (001).
Keywords	crystal structure ; 2,9-dithia-13-azadispiro[4.1.47.35]]tetradecan-6-one ; thiophene ; piperidine ; dispiro: hydrogen bonding ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2015-12-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole

Muniyappan Govindhan / Kathavarayan Subramanian / Vijayan Viswanathan / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 4, Pp o229-o

2015 Volume 230

Abstract: The title compound, C20H15FN2O2, adopts an almost planar conformation. The oxadiazole ring makes dihedral angles of 13.90 (1) and 7.93 (1)° with the naphthalene ring system and benzene ring, respectively, while the naphthalene ring system and benzene ... ...

Abstract	The title compound, C20H15FN2O2, adopts an almost planar conformation. The oxadiazole ring makes dihedral angles of 13.90 (1) and 7.93 (1)° with the naphthalene ring system and benzene ring, respectively, while the naphthalene ring system and benzene ring are inclined to one another by 6.35 (1)°. In the crystal, adjacent molecules are linked via C—H.N hydrogen bonds, forming chains propagating along [100]. There are also π–π interactions present [intercentroid distances = 3.5754 (9) and 3.7191 (12) Å], linking the chains to form ribbons lying parallel to (011).
Keywords	crystal structure ; triazole ; oxadiazole ; naphthalene ; hydrogen bonding ; π–π interactions ; Chemistry ; QD1-999
Language	English
Publishing date	2015-04-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
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Article: Lactosmart: A Novel Therapeutic Molecule for Antimicrobial Defense.

Singh, Jiya / Vijayan, Viswanathan / Ahmedi, Saiema / Pant, Pradeep / Manzoor, Nikhat / Singh, Tej P / Sharma, Pradeep / Sharma, Sujata

Frontiers in microbiology

2021 Volume 12, Page(s) 672589

Abstract: The problem of antibiotic resistance has prompted researchers around the globe to search for new antimicrobial agents. Antimicrobial proteins and peptides are naturally secreted by almost all the living organisms to fight infections and can be safer ... ...

Abstract	The problem of antibiotic resistance has prompted researchers around the globe to search for new antimicrobial agents. Antimicrobial proteins and peptides are naturally secreted by almost all the living organisms to fight infections and can be safer alternatives to chemical antibiotics. Lactoferrin (LF) is a known antimicrobial protein present in all body secretions. In this study, LF was digested by trypsin, and the resulting hydrolysates were studied with respect to their antimicrobial properties. Among the hydrolysates, a 21-kDa basic fragment of LF (termed lactosmart) showed promise as a new potent antimicrobial agent. The antimicrobial studies were performed on various microorganisms including
Language	English
Publishing date	2021-06-18
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2587354-4
ISSN	1664-302X
ISSN	1664-302X
DOI	10.3389/fmicb.2021.672589
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Article ; Online: Structure prediction and discovery of inhibitors against phosphopantothenoyl cysteine synthetase of

Gupta, Akshita / Vijayan, Viswanathan / Pant, Pradeep / Kaur, Punit / Singh, Tej P / Sharma, Pradeep / Sharma, Sujata

Journal of biomolecular structure & dynamics

2021 Volume 40, Issue 21, Page(s) 11405–11417

Abstract: Acinetobacter ... ...

Abstract	Acinetobacter baumannii
MeSH term(s)	Acinetobacter baumannii/drug effects ; Catalytic Domain ; Coenzyme A/metabolism ; Ligands ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Peptide Synthases/antagonists & inhibitors
Chemical Substances	Coenzyme A (SAA04E81UX) ; Ligands ; phosphopantothenoyl-cysteine synthetase (EC 6.3.2.5) ; Peptide Synthases (EC 6.3.2.-)
Language	English
Publishing date	2021-08-04
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2021.1958699
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Article ; Online: Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyrazin-2-yl)acetamide

Manisha Choudhury / Vijayan Viswanathan / Ajay Kumar Timiri / Barij Nayan Sinha / Venkatesan Jayaprakash / Devadasan Velmurugan

Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 5, Pp 718-

2018 Volume 723

Abstract: In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the diaminopyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH2–C(=O)–NH– lies in the ... ...

Abstract	In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the diaminopyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH2–C(=O)–NH– lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intramolecular N—H.N hydrogen bond forming an S(7) ring motif and a short C—H.O interaction forming an S(6) loop. In the crystals of both compounds, molecules are linked by pairs of N—H.N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N—H.O and N—H.N hydrogen bonds, forming layers parallel to (1\overline{1}\overline{1}). The layers are linked by offset π–π interactions [intercentroid distance = 3.777 (1) Å], forming a three-dimensional supramolecular structure. In (II), the dimers are linked by N—H.O, N—H.N and C—H.O hydrogen bonds, also forming a three-dimensional supramolecular structure.
Keywords	crystal structure ; 4,6-diaminopyrimidine ; sulfanyl ; acetamide ; pyridine ; pyrazine ; hydrogen bonding ; offset π-π interactions ; Hirshfeld surface ; Chemistry ; QD1-999
Subject code	540
Language	English
Publishing date	2018-05-01T00:00:00Z
Publisher	International Union of Crystallography
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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