Since 2004, the ISCB Student Council has been organizing different symposia worldwide, gathering ... more Since 2004, the ISCB Student Council has been organizing different symposia worldwide, gathering together the community of young computational biologists. Due to the coronavirus disease 2019 (COVID-19) pandemic situation, the world scientific community was forced to cancel in-person meetings for almost two years, imposing the adoption of virtual formats instead. After the successful editions of our continental symposia in 2020 in the USA, Latin America, and Europe, we organized our flagship global event, the Student Council Symposium (SCS) 2021, trying to apply all previous lessons learned and to exploit the advantages that virtuality has to offer.
ABSTRACTMembers of the Sp family of transcription factors regulate gene expression via binding GC... more ABSTRACTMembers of the Sp family of transcription factors regulate gene expression via binding GC boxes within promoter regions. Unlike Sp1, which stimulates transcription, the closely related Sp3 can either repress or activate gene expression and is required for perinatal survival in mice. Here, we use RNA-seq and cellular phenotyping to show how Sp3 regulates murine fetal cell differentiation and proliferation. Homozygous Sp3−/− mice were smaller than wild-type and Sp+/− littermates, died soon after birth and had abnormal lung morphogenesis. RNA-seq of Sp3−/− fetal lung mesenchymal cells identified alterations in extracellular matrix production, developmental signaling pathways and myofibroblast/lipofibroblast differentiation. The lungs of Sp3−/− mice contained multiple structural defects, with abnormal endothelial cell morphology, lack of elastic fiber formation, and accumulation of lipid droplets within mesenchymal lipofibroblasts. Sp3−/− cells and mice also displayed cell cycle...
The reduced cost of sequencing is leading to an explosive growth in the number of available seque... more The reduced cost of sequencing is leading to an explosive growth in the number of available sequences across diverse genomes, and for individual patients. Inferring meaningful functions of individual genes/proteins is lagging, which hinders the deeper understanding of biological function and evolution. Traditionally, protein function has been determined by time consuming experimental methods or by sequence matching that often does not agree with the experimental findings. We have significantly improved protein sequence matching, by accounting for inter-dependent amino acid substitutions observed within densely packed protein structures, which yields additional substitutions beyond those usually seen, with good matches to additional proteins, some having new functions, not identified by conventional sequence matching. In the current study, we have applied this approach to predict novel functions for the proteins from HIV. These newly found functional annotations are then manually rev...
Glycosyltransferases (GTs) are a large family of enzymes that add sugars to a broad range of acce... more Glycosyltransferases (GTs) are a large family of enzymes that add sugars to a broad range of acceptor substrates, including polysaccharides, proteins and lipids, by utilizing a wide variety of donor substrates in the form of activated sugars. Individual GTs have generally been considered to exhibit a high level of substrate specificity, but this has not been thoroughly investigated across the extremely large set of GTs. Here we investigate xyloglucan xylosyltransferase 1 (XXT1), a GT involved in the synthesis of the plant cell wall polysaccharide, xyloglucan. Xyloglucan has a glucan backbone, with initial side chain substitutions exclusively composed of xylose from uridine diphosphate (UDP)-xylose. While this conserved substitution pattern suggests a high substrate specificity for XXT1, our in vitro kinetic studies elucidate a more complex set of behavior. Kinetic studies demonstrate comparable kcat values for reactions with UDP-xylose and UDP-glucose, while reactions with UDP-arabi...
Journal of Chemical Information and Modeling, 2021
Drug extrusion through molecular efflux pumps is an important mechanism for the survival of many ... more Drug extrusion through molecular efflux pumps is an important mechanism for the survival of many pathogenic bacteria by removing drugs, providing multidrug resistance (MDR). Understanding molecular mechanisms for drug extrusion in multidrug efflux pumps is important for the development of new antiresistance drugs. The AbgT family of transporters involved in the folic acid biosynthesis pathway represents one such important efflux pump system. In addition to the transport of the folic acid precursor p-amino benzoic acid (PABA), members of this family are involved in the efflux of several sulfa drugs, conferring drug resistance to the bacteria. With the availability of structures for two members of this family (YdaH and MtrF), we investigate molecular pathways for transport of PABA and a sulfa drug (sulfamethazine) particularly for the YdaH transporter using steered molecular dynamics. Our analyses reveal the probable ligand migration pathways through the transporter, which also identifies key residues along the transport pathway. In addition, simulations using both PABA and sulfamethazine show how the protein is able to transport ligands of different shapes and sizes out of the pathogen. Our observations confirm previously reported functional residues for transport along the pathways by which YdaH transporters achieve antibiotic resistance to shuttle drugs out of the cells.
This article has been accepted for publication and undergone full peer review but has not been th... more This article has been accepted for publication and undergone full peer review but has not been through the copyediting, typesetting, pagination and proofreading process, which may lead to differences between this version and the Version of Record. Please cite this article as
drug efflux as a homodimer by coupling transport with the electrochemical potential across the in... more drug efflux as a homodimer by coupling transport with the electrochemical potential across the inner membrane of E. coli. While it is known that a conserved glutamate residue (Glu-14) within the first transmembrane domain of EmrE plays a central role in transport, the mechanistic details concerning how this anionic residue couples efflux with the pH gradient are not fully understood due to the lack of a high-resolution view of the substrate binding pocket. Our experiments use a combination of solution and solid-state NMR spectroscopy to uncover the conformational dynamics and allosteric communication within EmrE that underlie the ion-coupled mechanism. In addition, we offer highresolution structural insight of EmrE's binding pocket in lipid bilayers with the goal of defining the multidrug recognition mechanism.
Wikipedia is regarded as one of the most important channels for the public communication of scien... more Wikipedia is regarded as one of the most important channels for the public communication of science; English Wikipedia has around 1,500 articles relating to computational biology, which are frequently accessed as an educational resource. Joint efforts between the International Society for Computational Biology (ISCB) and the Computational Biology taskforce of WikiProject Molecular Biology (a group of expert Wikipedia editors) have considerably improved computational biology representation on Wikipedia in recent years. However, there is still an urgent need for further quality improvement, primarily while comparing to related scientific fields such as genetics and medicine. Facilitating the involvement of members from ISCB COSIs (Communities of Special Interest) would improve a vital open educational resource in computational biology, additionally allowing COSIs to provide a quality educational resource particular to their subfield. This first version of the COSI-Article matrix is a ...
<p>Poster for the</p> <p>5th International Workshop on Bio-Design Automation<... more <p>Poster for the</p> <p>5th International Workshop on Bio-Design Automation</p> <p>London UK 2013</p
The article elaborates on the program highlights of the 3rd African Student Council Symposium 201... more The article elaborates on the program highlights of the 3rd African Student Council Symposium 2019. The one-day symposium was held in Kwame Nkrumah University of Science and Technology (KNUST), Ghana, on 11 November 2019 during the 6th joint international bioinformatics conference of the ISCB and ASBCB. It consisted of three sessions that included keynote talks by Prof Christine Orengo and Dr. Amel Ghouila, and seven selected student speaker talks from different areas of bioinformatics. The students benefited from networking and learning about ongoing research work by their peers hailing from different countries of the African region. The symposium proved to be pivotal to strengthen connections in the African bioinformatics student community.
Regional Student Groups (RSGs) of the International Society for Computational Biology Student Cou... more Regional Student Groups (RSGs) of the International Society for Computational Biology Student Council (ISCB-SC) have been instrumental to connect computational biologists globally and to create more awareness about bioinformatics education. This article highlights the initiatives carried out by the RSGs both nationally and internationally to strengthen the present and future of the bioinformatics community. Moreover, we discuss the future directions the organization will take and the challenges to advance further in the ISCB-SC main mission: “Nurture the new generation of computational biologists”.
The Student Council of the International Society for Computational Biology (ISCB-SC) is a student... more The Student Council of the International Society for Computational Biology (ISCB-SC) is a student-focused organization for researchers from all early career levels of training (undergraduates, masters, PhDs and postdocs) that organizes bioinformatics and computational biology activities across the globe. Among its activities, the ISCB-SC organizes several symposia in different continents, many times, with the help of the Regional Student Groups (RSGs) that are based on each region. In this editorial we highlight various key moments and learned lessons from the 14th Student Council Symposium (SCS, Chicago, USA), the 5th European Student Council Symposium (ESCS, Athens, Greece) and the 3rd Latin American Student Council Symposium (LA-SCS, Viña del Mar, Chile).
This article describes the motivation, origin and evolution of the student symposia series organi... more This article describes the motivation, origin and evolution of the student symposia series organised by the ISCB Student Council. The meeting series started thirteen years ago in Madrid and has spread to four continents. The article concludes with the highlights of the most recent edition of annual Student Council Symposium held in conjunction with the 25th Conference on Intelligent Systems for Molecular Biology and the 16th European Conference on Computational Biology, in Prague, in July 2017.
Student Council Symposiums (SCSs) have been found to be very useful for students and young resear... more Student Council Symposiums (SCSs) have been found to be very useful for students and young researchers. This is especially true given that the events are held directly before large international conferences, giving attendees a chance to gain exposure and have a warm up to the social nuances involved in attending such a meeting. This was the second SCS held in Africa in conjunction with the International Society for Computational Biology (ISCB) and the African Society for Bioinformatics and Computational Biology's (ASBCB) biennial meeting. This symposium was organised by students within the society inside Africa and was held on the 10 th of October 2017 in Entebbe, Uganda.
Regional Student Groups are groups established and managed by the ISCB-Student Council in differe... more Regional Student Groups are groups established and managed by the ISCB-Student Council in different regions of the world. The article highlights some of the initiatives and management lessons from our 'top-performing' Spotlight Regional Student Groups (RSGs), RSG-Argentina and RSG-UK, for the current year (2016). In addition, it details some of the operational hurdles faced by RSGs and possible solutions.
Background Bovine milk contains extracellular vesicles (EVs) that play a role in cellular communi... more Background Bovine milk contains extracellular vesicles (EVs) that play a role in cellular communication, acting in either an autocrine, paracrine, or an exocrine manner. The unique properties of the EVs protect the cargo against degradation. We profiled the ncRNAs (non-coding RNA) present in the EVs from seven dairy products - raw whole milk, heat-treated skim milk, homogenized heat-treated skim milk, pasteurized homogenized skim milk, pasteurized heavy whipping cream, sweet cream buttermilk and cultured buttermilk with four replicates each, obtained at different processing steps from a commercial dairy plant. EVs and their cargo were extracted by using a validated commercial kit that has been shown to be efficient and specific for EVs. Further, to find the annotation of ncRNAs, we probed bovine and other organism repositories(such as miRBase, miRTarBase, Ensemble) to find homolog ncRNA annotation in case the annotations of ncRNA are not available in Bos Taurus database. Results Spe...
Since 2004, the ISCB Student Council has been organizing different symposia worldwide, gathering ... more Since 2004, the ISCB Student Council has been organizing different symposia worldwide, gathering together the community of young computational biologists. Due to the coronavirus disease 2019 (COVID-19) pandemic situation, the world scientific community was forced to cancel in-person meetings for almost two years, imposing the adoption of virtual formats instead. After the successful editions of our continental symposia in 2020 in the USA, Latin America, and Europe, we organized our flagship global event, the Student Council Symposium (SCS) 2021, trying to apply all previous lessons learned and to exploit the advantages that virtuality has to offer.
ABSTRACTMembers of the Sp family of transcription factors regulate gene expression via binding GC... more ABSTRACTMembers of the Sp family of transcription factors regulate gene expression via binding GC boxes within promoter regions. Unlike Sp1, which stimulates transcription, the closely related Sp3 can either repress or activate gene expression and is required for perinatal survival in mice. Here, we use RNA-seq and cellular phenotyping to show how Sp3 regulates murine fetal cell differentiation and proliferation. Homozygous Sp3−/− mice were smaller than wild-type and Sp+/− littermates, died soon after birth and had abnormal lung morphogenesis. RNA-seq of Sp3−/− fetal lung mesenchymal cells identified alterations in extracellular matrix production, developmental signaling pathways and myofibroblast/lipofibroblast differentiation. The lungs of Sp3−/− mice contained multiple structural defects, with abnormal endothelial cell morphology, lack of elastic fiber formation, and accumulation of lipid droplets within mesenchymal lipofibroblasts. Sp3−/− cells and mice also displayed cell cycle...
The reduced cost of sequencing is leading to an explosive growth in the number of available seque... more The reduced cost of sequencing is leading to an explosive growth in the number of available sequences across diverse genomes, and for individual patients. Inferring meaningful functions of individual genes/proteins is lagging, which hinders the deeper understanding of biological function and evolution. Traditionally, protein function has been determined by time consuming experimental methods or by sequence matching that often does not agree with the experimental findings. We have significantly improved protein sequence matching, by accounting for inter-dependent amino acid substitutions observed within densely packed protein structures, which yields additional substitutions beyond those usually seen, with good matches to additional proteins, some having new functions, not identified by conventional sequence matching. In the current study, we have applied this approach to predict novel functions for the proteins from HIV. These newly found functional annotations are then manually rev...
Glycosyltransferases (GTs) are a large family of enzymes that add sugars to a broad range of acce... more Glycosyltransferases (GTs) are a large family of enzymes that add sugars to a broad range of acceptor substrates, including polysaccharides, proteins and lipids, by utilizing a wide variety of donor substrates in the form of activated sugars. Individual GTs have generally been considered to exhibit a high level of substrate specificity, but this has not been thoroughly investigated across the extremely large set of GTs. Here we investigate xyloglucan xylosyltransferase 1 (XXT1), a GT involved in the synthesis of the plant cell wall polysaccharide, xyloglucan. Xyloglucan has a glucan backbone, with initial side chain substitutions exclusively composed of xylose from uridine diphosphate (UDP)-xylose. While this conserved substitution pattern suggests a high substrate specificity for XXT1, our in vitro kinetic studies elucidate a more complex set of behavior. Kinetic studies demonstrate comparable kcat values for reactions with UDP-xylose and UDP-glucose, while reactions with UDP-arabi...
Journal of Chemical Information and Modeling, 2021
Drug extrusion through molecular efflux pumps is an important mechanism for the survival of many ... more Drug extrusion through molecular efflux pumps is an important mechanism for the survival of many pathogenic bacteria by removing drugs, providing multidrug resistance (MDR). Understanding molecular mechanisms for drug extrusion in multidrug efflux pumps is important for the development of new antiresistance drugs. The AbgT family of transporters involved in the folic acid biosynthesis pathway represents one such important efflux pump system. In addition to the transport of the folic acid precursor p-amino benzoic acid (PABA), members of this family are involved in the efflux of several sulfa drugs, conferring drug resistance to the bacteria. With the availability of structures for two members of this family (YdaH and MtrF), we investigate molecular pathways for transport of PABA and a sulfa drug (sulfamethazine) particularly for the YdaH transporter using steered molecular dynamics. Our analyses reveal the probable ligand migration pathways through the transporter, which also identifies key residues along the transport pathway. In addition, simulations using both PABA and sulfamethazine show how the protein is able to transport ligands of different shapes and sizes out of the pathogen. Our observations confirm previously reported functional residues for transport along the pathways by which YdaH transporters achieve antibiotic resistance to shuttle drugs out of the cells.
This article has been accepted for publication and undergone full peer review but has not been th... more This article has been accepted for publication and undergone full peer review but has not been through the copyediting, typesetting, pagination and proofreading process, which may lead to differences between this version and the Version of Record. Please cite this article as
drug efflux as a homodimer by coupling transport with the electrochemical potential across the in... more drug efflux as a homodimer by coupling transport with the electrochemical potential across the inner membrane of E. coli. While it is known that a conserved glutamate residue (Glu-14) within the first transmembrane domain of EmrE plays a central role in transport, the mechanistic details concerning how this anionic residue couples efflux with the pH gradient are not fully understood due to the lack of a high-resolution view of the substrate binding pocket. Our experiments use a combination of solution and solid-state NMR spectroscopy to uncover the conformational dynamics and allosteric communication within EmrE that underlie the ion-coupled mechanism. In addition, we offer highresolution structural insight of EmrE's binding pocket in lipid bilayers with the goal of defining the multidrug recognition mechanism.
Wikipedia is regarded as one of the most important channels for the public communication of scien... more Wikipedia is regarded as one of the most important channels for the public communication of science; English Wikipedia has around 1,500 articles relating to computational biology, which are frequently accessed as an educational resource. Joint efforts between the International Society for Computational Biology (ISCB) and the Computational Biology taskforce of WikiProject Molecular Biology (a group of expert Wikipedia editors) have considerably improved computational biology representation on Wikipedia in recent years. However, there is still an urgent need for further quality improvement, primarily while comparing to related scientific fields such as genetics and medicine. Facilitating the involvement of members from ISCB COSIs (Communities of Special Interest) would improve a vital open educational resource in computational biology, additionally allowing COSIs to provide a quality educational resource particular to their subfield. This first version of the COSI-Article matrix is a ...
<p>Poster for the</p> <p>5th International Workshop on Bio-Design Automation<... more <p>Poster for the</p> <p>5th International Workshop on Bio-Design Automation</p> <p>London UK 2013</p
The article elaborates on the program highlights of the 3rd African Student Council Symposium 201... more The article elaborates on the program highlights of the 3rd African Student Council Symposium 2019. The one-day symposium was held in Kwame Nkrumah University of Science and Technology (KNUST), Ghana, on 11 November 2019 during the 6th joint international bioinformatics conference of the ISCB and ASBCB. It consisted of three sessions that included keynote talks by Prof Christine Orengo and Dr. Amel Ghouila, and seven selected student speaker talks from different areas of bioinformatics. The students benefited from networking and learning about ongoing research work by their peers hailing from different countries of the African region. The symposium proved to be pivotal to strengthen connections in the African bioinformatics student community.
Regional Student Groups (RSGs) of the International Society for Computational Biology Student Cou... more Regional Student Groups (RSGs) of the International Society for Computational Biology Student Council (ISCB-SC) have been instrumental to connect computational biologists globally and to create more awareness about bioinformatics education. This article highlights the initiatives carried out by the RSGs both nationally and internationally to strengthen the present and future of the bioinformatics community. Moreover, we discuss the future directions the organization will take and the challenges to advance further in the ISCB-SC main mission: “Nurture the new generation of computational biologists”.
The Student Council of the International Society for Computational Biology (ISCB-SC) is a student... more The Student Council of the International Society for Computational Biology (ISCB-SC) is a student-focused organization for researchers from all early career levels of training (undergraduates, masters, PhDs and postdocs) that organizes bioinformatics and computational biology activities across the globe. Among its activities, the ISCB-SC organizes several symposia in different continents, many times, with the help of the Regional Student Groups (RSGs) that are based on each region. In this editorial we highlight various key moments and learned lessons from the 14th Student Council Symposium (SCS, Chicago, USA), the 5th European Student Council Symposium (ESCS, Athens, Greece) and the 3rd Latin American Student Council Symposium (LA-SCS, Viña del Mar, Chile).
This article describes the motivation, origin and evolution of the student symposia series organi... more This article describes the motivation, origin and evolution of the student symposia series organised by the ISCB Student Council. The meeting series started thirteen years ago in Madrid and has spread to four continents. The article concludes with the highlights of the most recent edition of annual Student Council Symposium held in conjunction with the 25th Conference on Intelligent Systems for Molecular Biology and the 16th European Conference on Computational Biology, in Prague, in July 2017.
Student Council Symposiums (SCSs) have been found to be very useful for students and young resear... more Student Council Symposiums (SCSs) have been found to be very useful for students and young researchers. This is especially true given that the events are held directly before large international conferences, giving attendees a chance to gain exposure and have a warm up to the social nuances involved in attending such a meeting. This was the second SCS held in Africa in conjunction with the International Society for Computational Biology (ISCB) and the African Society for Bioinformatics and Computational Biology's (ASBCB) biennial meeting. This symposium was organised by students within the society inside Africa and was held on the 10 th of October 2017 in Entebbe, Uganda.
Regional Student Groups are groups established and managed by the ISCB-Student Council in differe... more Regional Student Groups are groups established and managed by the ISCB-Student Council in different regions of the world. The article highlights some of the initiatives and management lessons from our 'top-performing' Spotlight Regional Student Groups (RSGs), RSG-Argentina and RSG-UK, for the current year (2016). In addition, it details some of the operational hurdles faced by RSGs and possible solutions.
Background Bovine milk contains extracellular vesicles (EVs) that play a role in cellular communi... more Background Bovine milk contains extracellular vesicles (EVs) that play a role in cellular communication, acting in either an autocrine, paracrine, or an exocrine manner. The unique properties of the EVs protect the cargo against degradation. We profiled the ncRNAs (non-coding RNA) present in the EVs from seven dairy products - raw whole milk, heat-treated skim milk, homogenized heat-treated skim milk, pasteurized homogenized skim milk, pasteurized heavy whipping cream, sweet cream buttermilk and cultured buttermilk with four replicates each, obtained at different processing steps from a commercial dairy plant. EVs and their cargo were extracted by using a validated commercial kit that has been shown to be efficient and specific for EVs. Further, to find the annotation of ncRNAs, we probed bovine and other organism repositories(such as miRBase, miRTarBase, Ensemble) to find homolog ncRNA annotation in case the annotations of ncRNA are not available in Bos Taurus database. Results Spe...
Uploads
Papers by Sayane Shome