Daniel Glossman-Mitnik

ResearcherID ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 33

Top Topics

Molecular Docking

Recombinant Human

Positive Breast Cancer

Bacillus Subtilis

Top Venues

Molecules (Basel, Switzerland)

Journal of molecular modeling

Pharmaceuticals (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Norma Rosario Flores-Holguín, Joan Sebastian Salas-Leiva, Erick J Núñez-Vázquez, Dariel Tovar Ramírez, Daniel Glossman-Mitnik
Marine Toxins as Pharmaceutical Treasure Troves: A Focus on Saxitoxin Derivatives from a Computational Point of View. Molecules (Basel, Switzerland) 29 (1) (2024)
Norma Rosario Flores-Holguín, Joan Sebastian Salas-Leiva, Erick J Núñez-Vázquez, Dariel Tovar Ramírez, Daniel Glossman-Mitnik
Marine Toxins as Pharmaceutical Treasure Troves: A Focus on Saxitoxin Derivatives from a Computational Point of View. Molecules (Basel, Switzerland) 29 (1) (2024)
Norma Rosario Flores-Holguín, Joan Sebastian Salas-Leiva, Daniel Glossman-Mitnik
Talarolide A and Talaropeptides A-D: Potential Marine-Derived Therapeutic Peptides with Interesting Chemistry and Biological Activity Studied through Density Functional Theory (DFT) and Conceptual DFT. Molecules (Basel, Switzerland) 28 (18) (2023)
Norma Rosario Flores-Holguín, Joan Sebastian Salas-Leiva, Daniel Glossman-Mitnik
Computational Discovery of Marine Molecules of the Cyclopeptide Family with Therapeutic Potential. Pharmaceuticals (Basel, Switzerland) 16 (10) (2023)
Smitha S Bhat, Sushma Pradeep, Sharanagouda S Patil, Norma Rosario Flores-Holguín, Daniel Glossman-Mitnik, Juan Frau, Sarana Rose Sommano, Nemat Ali, Mohamed Mohany, Chandan Shivamallu, Shashanka K Prasad, Kollur Shiva Prasad
Preliminary Evaluation of Lablab purpureus Phytochemicals for Anti-BoHV-1 Activity Using In Vitro and In Silico Approaches. ACS omega 8 (25) (2023)
Sachin A Deodware, Umesh B Barache, Pratibha C Dhale, Kundalkesha D Gaikwad, Chandan Shivamallu, Panchsheela A Ubale, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Juan Frau, Norma Rosario Flores-Holguín, Shashikant H Gaikwad, Kollur Shiva Prasad, Daniel Glossman-Mitnik
In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes. Molecules (Basel, Switzerland) 27 (19) (2022)
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, Hemanth Kumar Naguvanahalli Krishnappa, Ana E Ledesma, Anisha S Jain, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Kestur Nagaraj Amruthesh, Chandan Shivamallu, Kollur Shiva Prasad, Daniel Glossman-Mitnik
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies. Molecules (Basel, Switzerland) 27 (23) (2022)
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, Hemanth Kumar Naguvanahalli Krishnappa, Ana E Ledesma, Anisha S Jain, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Kestur Nagaraj Amruthesh, Chandan Shivamallu, Kollur Shiva Prasad, Daniel Glossman-Mitnik
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies. Molecules (Basel, Switzerland) 27 (23) (2022)
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, Hemanth Kumar Naguvanahalli Krishnappa, Ana E Ledesma, Anisha S Jain, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Kestur Nagaraj Amruthesh, Chandan Shivamallu, Kollur Shiva Prasad, Daniel Glossman-Mitnik
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies. Molecules (Basel, Switzerland) 27 (23) (2022)
Bhargav Shreevatsa, Chandan Dharmashekara, Anisha S Jain, Raghavendra Amachawadi, Raghu Ram Achar, Asad Syed, Chandan Shivamallu, Shiva Prasad Kollur, Juan Frau, Norma Flores-Holguín, Daniel Glossman-Mitnik
An insight into reactivity and bioactivity properties of quorum sensing peptides against PDE10A: a computational peptidology approach. Journal of molecular modeling 28 (8) (2022)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET. Pharmaceuticals (Basel, Switzerland) 15 (5) (2022)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Computational Pharmacokinetics Report, ADMET Study and Conceptual DFT-Based Estimation of the Chemical Reactivity Properties of Marine Cyclopeptides. ChemistryOpen 10 (11) (2022)
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, Hemanth Kumar Naguvanahalli Krishnappa, Ana E Ledesma, Anisha S Jain, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Kestur Nagaraj Amruthesh, Chandan Shivamallu, Kollur Shiva Prasad, Daniel Glossman-Mitnik
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies. Molecules (Basel, Switzerland) 27 (23) (2022)
Hittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudarshana Brijesh Singh, Chandan Shivamallu, Sushma Pradeep, C S Shivakumara, Satish Anandan, Anjana Thampy, Raghu Ram Achar, Ekaterina Vladimirovna Silina, Victor Stupin, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín, Kestur Nagaraj Amruthesh, Shiva Prasad Kollur, Daniel Glossman-Mitnik
Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies. PloS one 17 (10) (2022)
Vinusha H Mariwamy, Kollur Shiva Prasad, Bindya Shivananda, Muneera Begum, Chandan Shivamallu, Chandan Dharmashekara, Sushma Pradeep, Anisha S Jain, Shashanka K Prasad, Asad Syed, Abdhallah M Elgorban, Salim Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Daniel Glossman-Mitnik
N -((1 H -Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations. Molecules (Basel, Switzerland) 27 (4) (2022)
Norma Rosario Flores-Holguín, Joaquín Ortega-Castro, Juan Frau, Daniel Glossman-Mitnik
Conceptual DFT-Based Computational Peptidology, Pharmacokinetics Study and ADMET Report of the Veraguamides A-G Family of Marine Natural Drugs. Marine drugs 20 (2) (2022)
Vijayakumar Uppar, Sandeep Chandrashekharappa, Chandan Shivamallu, Sushma P, Kollur Shiva Prasad, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Atiyaparveen I Basarikatti, Mallikarjun Chougala, Mrudula Mohan M, Govindappa Banuprakash, null Jayadev, Katharigatta Narayanaswamy Venugopala, Belakatte P Nandeshwarappa, Ravindra Veerapur, Abdulaziz A Al-Kheraif, Abdhallah M Elgorban, Asad Syed, Kiran K Mudnakudu-Nagaraju, Basavaraj Padmashali, Daniel Glossman-Mitnik
Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation. Molecules (Basel, Switzerland) 26 (9) (2021)
Bhargav Shreevatsa, Chandan Dharmashekara, Vikas Halasumane Swamy, Meghana V Gowda, Raghu Ram Achar, Vivek Hamse Kameshwar, Rajesh Kumar Thimmulappa, Asad Syed, Abdhallah M Elgorban, Salim S Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Chandan Shivamallu, Kollur Shiva Prasad, Daniel Glossman-Mitnik
Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer Therapy. Molecules (Basel, Switzerland) 26 (22) (2021)
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
An integrated molecular modeling protocol for drug screening based on conceptual density functional theory and chemoinformatics for the study of marine cyclopeptides. Journal of molecular modeling 27 (11) (2021)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology. Marine drugs 18 (9) (2020)
Ubale Panchsheela Ashok, Kollur Shiva Prasad, Nishad Anil, Bansode Prakash Arun, Sanjay Namdev Jadhav, Sanjay Sarsamkar, Vasant Baburao Helavi, Asha Srinivasan, Sandeep Kaulage, Ravindra Veerapur, Sarah Al-Rashed, Joaquín Ortega-Castro, Joaquín Ortega-Castro, Juan Frau, Norma Rosario Flores-Holguín, Daniel Glossman-Mitnik
Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base. Molecules (Basel, Switzerland) 25 (24) (2020)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A-H. Molecules (Basel, Switzerland) 25 (18) (2020)
Tomás Delgado-Montiel, Jesús Baldenebro-López, Rody Soto-Rojo, Daniel Glossman-Mitnik
Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs. Molecules (Basel, Switzerland) 25 (16) (2020)
Juan Frau, Norma Rosario Flores-Holguín, Daniel Glossman-Mitnik
Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin. Molecules (Basel, Switzerland) 24 (6) (2019)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides. Molecules (Basel, Switzerland) 24 (15) (2019)
Norma Rosario Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A-F Marine Drugs. Molecules (Basel, Switzerland) 24 (18) (2019)
Tomás Delgado-Montiel, Rody Soto-Rojo, Jesús Baldenebro-López, Daniel Glossman-Mitnik
Theoretical Study of the Effect of Different π Bridges Including an Azomethine Group in Triphenylamine-Based Dye for Dye-Sensitized Solar Cells. Molecules (Basel, Switzerland) 24 (21) (2019)
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide. BMC research notes 12 (1) (2019)
Juan Frau, Norma Rosario Flores-Holguín, Daniel Glossman-Mitnik
Chemical Reactivity Properties, pKa Values, AGEs Inhibitor Abilities and Bioactivity Scores of the Mirabamides A⁻H Peptides of Marine Origin Studied by Means of Conceptual DFT. Marine drugs 16 (9) (2018)
Juan Frau, Daniel Glossman-Mitnik
Blue M2: an intermediate melanoidin studied via conceptual DFT. Journal of molecular modeling 24 (6) (2018)
Juan Frau, Daniel Glossman-Mitnik
Molecular Reactivity and Absorption Properties of Melanoidin Blue-G1 through Conceptual DFT. Molecules (Basel, Switzerland) 23 (3) (2018)
Linda-Lucila Landeros-Martinez, Daniel Glossman-Mitnik, Erasmo Orrantia-Borunda, Norma Rosario Flores-Holguín
New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer-A Density Functional Theory Approach. Molecules (Basel, Switzerland) 22 (10) (2017)
Juan Frau, Daniel Glossman-Mitnik
A conceptual DFT study of the molecular properties of glycating carbonyl compounds. Chemistry Central journal 11 (2017)