Dr. Vibhu Jha,Assistant Professor
Information about Dr. Vibhu Jha at the University of Bradford.
- School of Pharmacy & Medical Sciences
(Faculty of Life Sciences) - Email:
- v.jha2@bradford.ac.uk
Biography
Vibhu Jha hasstudied B. Pharm. from Chhattisgarh Swami Vivekananda Technical University(CSVTU), Bhilai, India (2008 – 2012). Vibhu undertook M. S. Pharm. (MedicinalChemistry) from the National Institute of Pharmaceutical Education and Research(NIPER), Raebareli, India (2013 – 2015). As a part of his masters dissertation,he spent one year at the CSIR – Central Drug Research Institute (CDRI),Lucknow, India, working on ‘In silico studies and synthesis ofantidiabetic agents.’ Vibhu subsequently joined School of Pharmacy, ITMUniversity, Gwalior, India as an Assistant Professor carrying out teaching andresearch activities at UG level (2015 – 2017). Vibhu obtained an internationalfully-funded PhD position at the Department of Pharmacy, University of Pisa,Italy and was awarded ‘Excellent honours’ (2017 – 2021). His PhD was focused onmolecular modeling and virtual screening studies to identify new anticancer hitcompounds, against druggable protein targets. In addition, Vibhu spent 6-monthsas a visiting PhD researcher at the Institute of Cancer Therapeutics (2019),gaining medicinal chemistry experience.Vibhu joinedSchool of Life Sciences, University of Dundee, UK, as a Researcher in MolecularModeling, focussing on antitubercular and antimalarial drug discovery (2021 –2022). Vibhu subsequently moved to the Department of Chemistry and MolecularBiology, University of Gothenburg, Sweden as a Postdoc (2022 – 2023), workingon various anticancer drug discovery projects driven by the state-of-the-artcomputational modeling techniques, also including masters project supervision, and teaching. Vibhu joined Institute ofCancer Therapeutics as an Assistant Professor in Computational Biology and DrugDesign. Vibhu utilizes conventional computational modeling tools such asdocking, molecular dynamics, virtual screening etc along with thestate-of-the-art Artificial Intelligence and Machine Learning tools to studyprotein – ligand, protein – protein , protein – DNA interactions, that furtherhelps to develop small molecule inhibitors/modulators against various cancertypes. Vibhu is an active collaboratorwith different research groups in Italy, Sweden, Germany and India.
Research
My research involves utilizing a wide range of computationalmodeling techniques such as homology modeling, docking, molecular dynamicssimulations, QM/MM simulations and binding free energy calculations to studyprotein – ligand and protein – protein interactions, their mechanism of activation/inhibitionrelevant to cancer. The research is further supported by structure-based andligand-based drug design studies involving high-throughput virtual screening, pharmacophoreand QSAR modeling to develop new hit and lead compounds against cancer drug targetsas following:(A) Targeting1C metabolism pathway to develop selective inhibitors of methylenetetrahydrofolatedehydrogenases (MTHFD2), serine hydroxy methyltransferase 2 (SHMT2) and dihydrofolatefolate reductases (DHFR) against breast and colorectal cancers.
(B) Developingdual inhibitors of mutated epidermal growth factor receptor tyrosine kinases EGFR(L858R/T790M)/ACK1 as a new therapeutic strategy to overcome drug resistance inlung cancers. 3
(C) Developinginhibitors that simultaneously inhibit human topoisomerases (hTopos) andhistone deacetylases (HDACs), showing dual mode of inhibition against lungcancer.
Artificial intelligence and machine learningroutines such as random forest (RF), support vector machine (SVM), artificialneural network (ANN) are furthermore employed to develop predictive andgenerative models against (1) ALDH1A1, ALDH1A2, ALDH1A3, ALDH3A1 and ALDH71isoforms (2) EGFR (L858R/T790M) and ACK1 kinases, using huge chemical databases.
Research collaborators
| Name | Company | Country | Type | Role | Theme | Description |
|---|---|---|---|---|---|---|
| Department of Pharmaceutical Sciences and Natural Product, Central University of Punjab | IN | EXTERNAL | Co-guiding the project, MedChem and pharmacological assays | Medicinal Chemistry and Pharmacology | Developing topoisomerase inhibitors and dual inhibitors of HDAC/Topoisomerase against cancer, | |
| Department of Chemistry and Molecular Biology, University of Gothenburg | SE | EXTERNAL | Co-guiding the projects, labour division | Computational Drug Discovery, Artificial Intelligence and Machine Learning in Drug Discovery | Developing inhibitors against prominent cancer drug targets such as MTHFD2, as well as developing protein -protein interaction inhibitors of TSC2 - Rheb, and Sec23 - Sec24 from the unfolded protein response (UPR). | |
| Department of Pharmacy, University of Pisa | IT | EXTERNAL | Co-guiding the project, MedChem work | Medicinal Chemistry, Computational Drug Discovery, Artificial Intelligence and Machine Learning in Drug Discovery | Developing PROTACs against MTHFD2-overexpressed cancers |
Professional activities
Information about education, employment and areas of particular interest for Dr. Vibhu Jha is as follows:
Employment
- University of Gothenburg, Sweden - Postdoctoral Researcher in Computational Drug Discovery in the year 2022 (specified as 01/04/2022)
- ITM University, Gwalior, India - Assistant Professor in Pharmaceutical Chemistry in the year 2015 (specified as 13/07/2015)
- University of Dundee, UK - Researcher in Molecular Modeling in the year 2021 (specified as 15/03/2021)
Education
- Chhattisgarh Swami Vivekananda Technical University, Bhilai, India - B. Pharm.
- National Institute of Pharmaceutical Education and Research, Raebareli, India - M. S. Pharm. (Medicinal Chemistry)
- Department of Pharmacy, University of Pisa, Italy - PhD in Pharmaceutical Science
- Institute of Cancer Therapeutics, University of Bradford - Visiting PhD
Publications
There are 18 publications involving or that are attributed to Dr. Vibhu Jha. They are listed as:
- article (1)
- book chapter (1)
- conference contribution (4)
- conference publication (2)
- peer reviewed journal (10)
Article
| Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Molecular structural investigations of quinoxaline derivatives through 3D-QSAR, molecular docking, ADME prediction and pharmacophore modeling studies for the search of novel antimalarial agent | 2022 | Achal Mishra, Vibhu Jha, Harish Rajak | Elsevier |
Book Chapter
| Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Implication of drug repurposing in the identification of antibacterial agents | 2023 | Drug Repurposing | Drug Repurposing | Vibhu Jha, Leif A. Eriksson | De Gruyter | https://doi.org/10.1515/9783110791150-006 |
Conference Contribution
| Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2023 | Modeling Interactions in Biomolecules IX | Modeling Interactions in Biomolecules IX | Vibhu Jha, Fredrik Lannestam Holmelin, Leif A. Eriksson | Prague, Czech Republic | |||||||
| 2022 | IPDD - structure-based drug design meeting | IPDD - structure-based drug design meeting | Vibhu Jha, Fredrik Lannestam Holmelin, Leif A. Eriksson | LINXS - Institute of advanced Neutron and X-ray Science, Lund, Sweden | |||||||
| 2018 | Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, MedChemSicily2018 | Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, MedChemSicily2018 | Vibhu Jha, Tiziano Tuccinardi | University of Palermo, Palermo, Italy | |||||||
| 2016 | 25th International Congress of SILAE (Società Italo-Latinoamericana di Etnomedicina) | 25th International Congress of SILAE (Società Italo-Latinoamericana di Etnomedicina) | Vibhu Jha, Nikhil Shrivastava | Universita delgi Studi di Modena Reggio Emilia, Italy |
Conference Publication
| Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Abstract 1820: N,N-diethylaminobenzaldehyde-based small molecules to probe aldehyde dehydrogenase as target in prostate cancer | 2022 | Proceedings: AACR Annual Meeting | Proceedings: AACR Annual Meeting | Elisabet Batlle Rocafort; Ali I. Ibrahim; Maria Sadiq; Sneha Smarakan; Vibhu Jha; Tiziano Tuccinardi; Fiona Frame; Norman Maitland; Rafael Jiménez Aguilar; Raquel Pequerul Pavón; Xavier Parés Casampera; Goreti Ribeiro Morais; Jaume Farrés Vicen; Klaus Pors | Cancer Research | https://doi.org/10.1158/1538-7445.AM2022-1820 | |||||
| Virtual screening platform on structure based pharmacophore hypothesis to design potential human LDH-A inhibitors against cancer | 2018 | Joint Event on 8th World Congress on Chemistry and Organic Chemistry & International Conference on Biomedicine & Pharmacotherapy | Joint Event on 8th World Congress on Chemistry and Organic Chemistry & International Conference on Biomedicine & Pharmacotherapy | Vibhu Jha | https://doi.org/10.1158/1538-7445.AM2022-1820 |
Peer Reviewed Journal
| Title | Year | Publication name | Journal | Volume | Pages | Authors | Editors | ISSN | Publisher | DOI | Location |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Design, Synthesis, Biological Evaluation and In Silico Study of Benzyloxybenzaldehyde Derivatives as Selective ALDH1A3 Inhibitors. | 2021 | Molecules | 26 | Ibrahim AIM;Ikhmais B;Batlle E;AbuHarb WK;Jha V;Jaradat KT;Jiménez R;Pequerul R;Parés X;Farrés J;Pors K; | 1420-3049 | 10.3390/molecules26195770 | |||||
| Expansion of the 4-(Diethylamino)benzaldehyde Scaffold to Explore the Impact on Aldehyde Dehydrogenase Activity and Antiproliferative Activity in Prostate Cancer | 2022 | Journal of Medicinal Chemistry | 65 | Ali I M Ibrahim, Elisabet Batlle, Smarakan Sneha, Rafael Jiménez, Raquel Pequerul, Xavier Parés, Till Rüngeler, Vibhu Jha, Tiziano Tuccinardi, Maria Sadiq, Fiona Frame, Norman J Maitland, Jaume Farrés, Klaus Pors | 10.1021/acs.jmedchem.1c01367 | ||||||
| Binding Modes of Xanthine-Derived Selective Allosteric Site Inhibitors of MTHFD2. | 2023 | ChemistryOpen | 12 | Jha V;Eriksson LA; | 2191-1363 | 10.1002/open.202300052 | |||||
| Binding Analysis and Structure-Based Design of Tricyclic Coumarin-Derived MTHFD2 Inhibitors as Anticancer Agents: Insights from Computational Modeling. | 2023 | Acs Omega | 8 | Jha V;Holmelin FL;Eriksson LA; | 2470-1343 | 10.1021/acsomega.2c08025 | |||||
| Design and Synthesis of Thionated Levofloxacin: Insights into a New Generation of Quinolones with Potential Therapeutic and Analytical Applications. | 2022 | Current Issues in Molecular Biology | 44 | Ibrahim AIM;Abul-Futouh H;Bourghli LMS;Abu-Sini M;Sunoqrot S;Ikhmais B;Jha V;Sarayrah Q;Abulebdah DH;Ismail WH; | 1467-3045 | 10.3390/cimb44100316 | |||||
| Discovery of a new ATP-citrate lyase (ACLY) inhibitor identified by a pharmacophore-based virtual screening study. | 2021 | Journal of Biomolecular Structure and Dynamics | 39 | Jha V;Galati S;Volpi V;Ciccone L;Minutolo F;Rizzolio F;Granchi C;Poli G;Tuccinardi T; | 1538-0254 | 10.1080/07391102.2020.1773314 | |||||
| Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study. | 2020 | Molecules | 26 | Jha V;Biagi M;Spinelli V;Di Stefano M;Macchia M;Minutolo F;Granchi C;Poli G;Tuccinardi T; | 1420-3049 | 10.3390/molecules26010078 | |||||
| Three-Dimensional Interactions Analysis of the Anticancer Target c-Src Kinase with Its Inhibitors. | 2020 | Cancers | 12 | Jha V;Macchia M;Tuccinardi T;Poli G; | 2072-6694 | 10.3390/cancers12082327 | |||||
| Computationally driven discovery of phenyl(piperazin-1-yl)methanone derivatives as reversible monoacylglycerol lipase (MAGL) inhibitors. | 2019 | Journal of Enzyme Inhibition and Medicinal Chemistry | 34 | Poli G;Lapillo M;Jha V;Mouawad N;Caligiuri I;Macchia M;Minutolo F;Rizzolio F;Tuccinardi T;Granchi C; | 1475-6374 | 10.1080/14756366.2019.1571271 | |||||
| Development of a Fingerprint-Based Scoring Function for the Prediction of the Binding Mode of Carbonic Anhydrase II Inhibitors. | 2018 | International Journal of Molecular Sciences | 19 | Poli G;Jha V;Martinelli A;Supuran CT;Tuccinardi T; | 1422-0067 | 10.3390/ijms19071851 |