Drug molecules toxicity prediction using computational methods. Research project in colaboration with a Medical Equipment Manufacturing company.

Topic — 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗧𝗼𝗼𝗹𝘀 𝗳𝗼𝗿 𝗕𝗶𝗼𝗰𝗮𝘁𝗮𝗹𝘆𝘀𝘁𝘀 𝗘𝗻𝗴𝗶𝗻𝗲𝗲𝗿𝗶𝗻𝗴 𝗮𝗻𝗱 𝗶𝘁𝘀 𝗔𝗽𝗽𝗹𝗶𝗰𝗮𝘁𝗶𝗼𝗻 𝘁𝗼 𝗖𝗔𝗭𝘆𝗺𝗲𝘀.🖥️ 𝗗𝗲𝘃𝗲𝗹𝗼𝗽𝗲𝗱 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗧𝗼𝗼𝗹𝘀 𝗳𝗼𝗿 𝗗𝗲𝘀𝗶𝗴𝗻𝗶𝗻𝗴 𝗮𝗻𝗱 𝗘𝘃𝗼𝗹𝘃𝗶𝗻𝗴 𝗕𝗶𝗼𝗰𝗮𝘁𝗮𝗹𝘆𝘁𝗶𝗰 𝗘𝗻𝘇𝘆𝗺𝗲𝘀 using State of the Art Modeling Tools: 𝗔𝘂𝘁𝗼𝗱𝗼𝗰𝗸, 𝗩𝗶𝗻𝗮, 𝗔𝗣𝗕𝗦, 𝗥𝗼𝘀𝗲𝘁𝘁𝗮, 𝗚𝗿𝗼𝗺𝗮𝗰𝘀, 𝗩𝗠𝗗, 𝗣𝘆𝗠𝗼𝗹. 📊 𝗜𝗺𝗽𝗹𝗲𝗺𝗲𝗻𝘁𝗲𝗱 𝗦𝗲𝗹𝗳-𝗗𝗲𝘃𝗲𝗹𝗼𝗽𝗲𝗱 𝗧𝗼𝗼𝗹𝘀 𝗮𝘁 𝗜𝗻-𝗛𝗼𝘂𝘀𝗲 𝗖𝗼𝗺𝗽𝘂𝘁𝗮𝘁𝗶𝗼𝗻𝗮𝗹 𝗣𝗶𝗽𝗲𝗹𝗶𝗻𝗲 using 𝗕𝗮𝘀𝗵, 𝗣𝘆𝘁𝗵𝗼𝗻, 𝗥, 𝗦𝗵𝗶𝗻𝘆 𝗮𝗻𝗱 𝗠𝗮𝗿𝗸𝗱𝗼𝘄𝗻 𝗳𝗼𝗿 𝗩𝗶𝘀𝘂𝗮𝗹𝗶𝘇𝗮𝘁𝗶𝗼𝗻 𝗮𝗻𝗱 𝗥𝗲𝘀𝘂𝗹𝘁𝘀 𝗥𝗲𝗽𝗼𝗿𝘁𝗶𝗻𝗴.👨‍🔬 𝗦𝘂𝗰𝗰𝗲𝘀𝘀𝗳𝘂𝗹 𝗔𝗽𝗽𝗹𝗶𝗰𝗮𝘁𝗶𝗼𝗻 in different 𝗣𝗿𝗼𝘁𝗲𝗶𝗻 𝗘𝗳𝗳𝗶𝗰𝗶𝗲𝗻𝗰𝘆 𝗣𝗿𝗼𝗰𝗲𝘀𝘀𝗲𝘀; 𝗛𝘆𝗱𝗿𝗼𝗹𝗮𝘀𝗲𝘀, 𝗧𝗿𝗮𝗻𝘀𝗴𝗹𝘆𝗰𝗼𝘀𝗶𝗱𝗮𝘀𝗲𝘀, 𝗚𝗹𝘂𝗰𝗼𝘀𝗶𝗱𝗮𝘀𝗲𝘀, 𝗣𝗲𝗿𝗼𝘅𝗶𝗱𝗮𝘀𝗲𝘀, 𝗚𝗹𝘆𝗰𝗼𝘀𝘆𝗹𝘁𝗿𝗮𝗻𝘀𝗳𝗲𝗿𝗮𝘀𝗲𝘀, 𝗙𝘂𝗰𝗼𝘀𝗶𝗱𝗮𝘀𝗲𝘀, 𝗫𝘆𝗹𝗮𝗻𝗮𝘀𝗲𝘀.Supervisors — Dr. Xevi Biarnés and prof. Dr. Antoni PlanasAs part of my PhD research I also:- Act as 𝗧𝗲𝗮𝗰𝗵𝗶𝗻𝗴 𝗔𝘀𝘀𝗶𝘀𝘁𝗮𝗻𝘁 of different subject practices in Bachelor's and Master's degrees involving 𝗕𝗶𝗼𝗶𝗻𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗰𝘀, 𝗜𝗻𝘁𝗿𝗼𝗱𝘂𝗰𝘁𝗶𝗼𝗻 𝘁𝗼 𝗣𝗿𝗼𝗴𝗿𝗮𝗺𝗺𝗶𝗻𝗴 𝗮𝗻𝗱 𝗦𝘁𝗮𝘁𝗶𝘀𝘁𝗰𝘀 (𝗣𝘆𝘁𝗵𝗼𝗻, 𝗝𝘂𝗽𝘆𝘁𝗲𝗿, 𝗔𝗻𝗮𝗰𝗼𝗻𝗱𝗮, 𝗥, 𝗦𝗤𝗟, 𝗘𝘅𝗰𝗲𝗹, 𝗩𝗕𝗔). - 𝗚𝘂𝗶𝗱𝗲𝗱 𝗮𝗻𝗱 𝗺𝗲𝗻𝘁𝗼𝗿 𝗯𝗼𝘁𝗵 𝗕𝗮𝗰𝗵𝗲𝗹𝗼𝗿 𝗮𝗻𝗱 𝗠𝗮𝘀𝘁𝗲𝗿 𝘀𝘁𝘂𝗱𝗲𝗻𝘁𝘀 during their final degree projects in the field of 𝗕𝗶𝗼𝗶𝗻𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗰𝘀 𝗮𝗻𝗱 𝗠𝗼𝗹𝗲𝗰𝘂𝗹𝗮𝗿 𝗠𝗼𝗱𝗲𝗹𝗶𝗻𝗴 in our lab. I have mentored more than 8 students up to date.

𝗜 𝘁𝗲𝗮𝗰𝗵 𝗴𝗿𝗮𝗱𝘂𝗮𝘁𝗲 𝘀𝘁𝘂𝗱𝗲𝗻𝘁𝘀 in different subjects involving 𝗜𝗻𝘁𝗿𝗼𝗱𝘂𝗰𝘁𝗶𝗼𝗻 𝘁𝗼 𝗣𝗿𝗼𝗴𝗿𝗮𝗺𝗺𝗶𝗻𝗴 (𝗣𝘆𝘁𝗵𝗼𝗻, 𝗝𝘂𝗽𝘆𝘁𝗲𝗿, 𝗩𝗕𝗔 𝗮𝗻𝗱 𝗦𝗤𝗟). I also give support in 𝗦𝘁𝗮𝘁𝗶𝘀𝘁𝗶𝗰𝘀 𝗰𝗹𝗮𝘀𝘀𝗲𝘀 𝗳𝗼𝗿 𝗗𝗮𝘁𝗮 𝗔𝗻𝗮𝗹𝘆𝘀𝗶𝘀 (𝗘𝘅𝗰𝗲𝗹 𝗮𝗻𝗱 𝗥).

Hit to lead project in colaboration with dermopharmaceutic company. Succesful drug candidates were in vivo validated, patented and included in dermopharmaceutical formulations. The project involved the used of comparative bioinformatics, homology modelling and virtual docking.

During my master thesis I: • Computationally simulated and predicted the effects of site directed mutagenesis upon different enzymes in order to modulate their activity. • Implemented new methods into a computational pipeline specifically built for site directed mutagenesis effects prediction.

In situ personalized diagnosis kit for celiac disease: https://www.youtube.com/watch?v=UakIANXx34Y&ab_channel=IQSBarcelona https://2018.igem.org/Team:BioIQS-Barcelona The iGEM contest (International Genetically Engineered Machine) is an event organized in Boston ( http://2018.igem.org/Main_Page ) that took place from October 24th-29th, 2018.Our project was based on the design of a personalized gluten sensor by using the common tools of synthetic biology. There are already several sensors that are able to detect gluten in food. However, there are milestones that still have not been overcome. We propose a robust model in which the HLA molecule of a patient is expressed and used as a sensor to detect specific reactive gluten epitopes.

Curricular practises and final degree thesis:• I conducted conservation analysis of non-codifying DNA regions throughout species in order to identify possible regulatory sites for embrionic development-involved proteins. • I performed molecular biology protocols to in vivo characterize putative regulatory sites on zebrafish embryos.