Maria A Grishina (Maria Grishina)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 27

Top Topics

Molecular Dynamics

Tyrosine Kinase

Mycobacterium Tuberculosis

Top Venues

Journal of biomolecular structure & dynamics

Future medicinal chemistry

Archiv der Pharmazie

Pharmaceuticals (Basel, Switzerland)

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

Publications

Shivananda Kandagalla, Maria A Grishina, Jurica Novak, Hrvoje Rimac, B S Sharath, Vladimir A Potemkin
AlteQ: a new complementarity principle-centered method for the evaluation of docking poses. Journal of biomolecular structure & dynamics (2023)
Krishnamoorthy Gurushankar, Hrvoje Rimac, Palko Nadezhda, Maria A Grishina
Exploring the potential and identifying Withania somnifera alkaloids as novel dihydrofolate reductase (DHFR) inhibitors by the AlteQ method. Journal of biomolecular structure & dynamics (2023)
Adarsh Kumar, Jurica Novak, Ankit Kumar Singh, Harshwardhan Singh, Suresh Thareja, Prateek Pathak, Maria A Grishina, Amita Verma, Pradeep Kumar
Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors. Journal of biomolecular structure & dynamics (2023)
Ankit Kumar Singh, Pankaj Sonawane, Adarsh Kumar, Harshwardhan Singh, Vladislav Naumovich, Prateek Pathak, Maria A Grishina, Habibullah Khalilullah, Mariusz Jaremko, Abdul-Hamid Emwas, Amita Verma, Pradeep Kumar
Challenges and Opportunities in the Crusade of BRAF Inhibitors: From 2002 to 2022. ACS omega 8 (31) (2023)
Shivananda Kandagalla, Maria A Grishina, Jurica Novak, Hrvoje Rimac, B S Sharath, Vladimir A Potemkin
AlteQ: a new complementarity principle-centered method for the evaluation of docking poses. Journal of biomolecular structure & dynamics (2023)
Adarsh Kumar, Ankit Kumar Singh, Harshwardhan Singh, Veena Vijayan, Deepak Kumar, Jashwanth Naik, Suresh Thareja, Jagat Pal Yadav, Prateek Pathak, Maria A Grishina, Amita Verma, Habibullah Khalilullah, Mariusz Jaremko, Abdul-Hamid M Emwas, Pradeep Kumar
Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective. Pharmaceuticals (Basel, Switzerland) 16 (2) (2023)
Shivananda Kandagalla, Maria A Grishina, Jurica Novak, Hrvoje Rimac, B S Sharath, Vladimir A Potemkin
AlteQ: a new complementarity principle-centered method for the evaluation of docking poses. Journal of biomolecular structure & dynamics (2023)
Prateek Pathak, Vikas Kumar, Habibullah Khalilullah, Maria A Grishina, HariOm Singh, Amita Verma
Debelalactone Prevents Hepatic Cancer via Diminishing the Inflammatory Response and Oxidative Stress on Male Wistar Rats. Molecules (Basel, Switzerland) 27 (14) (2022)
Ankit Kumar Singh, Adarsh Kumar, Harshwardhan Singh, Pankaj Sonawane, Harshali Paliwal, Suresh Thareja, Prateek Pathak, Maria A Grishina, Mariusz Jaremko, Abdul-Hamid M Emwas, Jagat Pal Yadav, Amita Verma, Habibullah Khalilullah, Pradeep Kumar
Concept of Hybrid Drugs and Recent Advancements in Anticancer Hybrids. Pharmaceuticals (Basel, Switzerland) 15 (9) (2022)
Mohd Shahbaaz, Dmitry A Maslov, Aleksey A Vatlin, Valery N Danilenko, Maria A Grishina, Sarel Malan
Repurposing Based Identification of Novel Inhibitors against MmpS5-MmpL5 Efflux Pump of Mycobacterium smegmatis : A Combined In Silico and In Vitro Study. Biomedicines 10 (2) (2022)
Ashok Kumar Mandal, Samrat Paudel, Anisha Pandey, Parasmani Yadav, Prateek Pathak, Maria A Grishina, Mariusz Jaremko, Abdul-Hamid M Emwas, Habibullah Khalilullah, Amita Verma
Guava Leaf Essential Oil as a Potent Antioxidant and Anticancer Agent: Validated through Experimental and Computational Study. Antioxidants (Basel, Switzerland) 11 (11) (2022)
Vladislav Naumovich, Maria A Grishina, Vladimir A Potemkin
Establishment of models for reliability evaluation of 3CLpro ligand-receptor complexes with different binding sites. Future medicinal chemistry 14 (7) (2022)
Jurica Novak, Hrvoje Rimac, Shivananda Kandagalla, Prateek Pathak, Vladislav Naumovich, Maria A Grishina, Vladimir A Potemkin
Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking. Journal of biomolecular structure & dynamics (2021)
Prem Prakash Sharma, Sumit Kumar, Kumar Kaushik, Archana Singh, Indrakant K Singh, Maria A Grishina, Kailash C Pandey, Pushpendra Singh, Vladimir A Potemkin, null Poonam, Geeta Singh, Brijesh Rathi
In silico validation of novel inhibitors of malarial aspartyl protease, plasmepsin V and antimalarial efficacy prediction. Journal of biomolecular structure & dynamics (2021)
Shivananda Kandagalla, Hrvoje Rimac, Vladimir A Potemkin, Maria A Grishina
Complementarity principle in terms of electron density for the study of EGFR complexes. Future medicinal chemistry 13 (10) (2021)
Jurica Novak, Hrvoje Rimac, Shivananda Kandagalla, Maria A Grishina, Vladimir A Potemkin
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database. Future medicinal chemistry 13 (4) (2021)
Shivananda Kandagalla, Jurica Novak, Sharath Belenahalli Shekarappa, Maria A Grishina, Vladimir A Potemkin, Bhimanagoud Kumbar
Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking. Journal of biomolecular structure & dynamics (2021)
Elena Korina, Sergey Naifert, Nadezhda Palko, Maria A Grishina, Vladimir A Potemkin, Roman Morozov, Alaa Adawy, Rafael Merono, Viacheslav V Avdin, Artyom Schelokov, Vadim Popov, Oleg Bol'shakov
Probing Adsorption of Dipeptides on Anatase in H2 O and D2 O: Thermodynamics and Molecular Geometry. Chemphyschem : a European journal of chemical physics and physical chemistry (2021)
Prateek Pathak, Jurica Novak, Parjanya K Shukla, Maria A Grishina, Vladimir A Potemkin, Amita Verma
Design, synthesis, antibacterial evaluation, and computational studies of hybrid oxothiazolidin-1,2,4-triazole scaffolds. Archiv der Pharmazie 354 (6) (2021)
Vladimir A Potemkin, Maria A Grishina
The Complementarity Principle-One More Step towards Analytical Docking on the Example of Dihydrofolate Reductase Complexes. Life (Basel, Switzerland) 11 (9) (2021)
Vladislav Naumovich, Maria A Grishina, Jurica Novak, Prateek Pathak, Vladimir A Potemkin, Mohd Shahbaaz, Magda H Abdellatif
Electronic properties investigation of human dihydrofolate reductase complexes with ligands. Journal of biomolecular structure & dynamics (2020)
Hrvoje Rimac, Maria A Grishina, Vladimir A Potemkin
Electron density analysis of CDK complexes using the AlteQ method. Future medicinal chemistry 12 (15) (2020)
Prateek Pathak, Vladislav Naumovich, Maria A Grishina, Vladimir A Potemkin
The study of EGFR-ligand complex electron property relationship with biological activity. Journal of biomolecular structure & dynamics (2020)
Prateek Pathak, Vladislav Naumovich, Maria A Grishina, Parjanya Kumar Shukla, Amita Verma, Vladimir A Potemkin
Quinazoline based 1,3,5-triazine derivatives as cancer inhibitors by impeding the phosphorylated RET tyrosine kinase pathway: Design, synthesis, docking, and QSAR study. Archiv der Pharmazie 352 (9) (2019)
Mohd Shahbaaz, Vladimir A Potemkin, Maria A Grishina, Krishna Bisetty, Imtaiyaz Hassan
The structural basis of acid resistance in Mycobacterium tuberculosis: insights from multiple pH regime molecular dynamics simulations. Journal of biomolecular structure & dynamics 38 (15) (2019)
Prateek Pathak, Parjanya K Shukla, Vladislav Naumovich, Maria A Grishina, Amita Verma, Vladimir A Potemkin
1,2,4-Triazole-conjugated 1,3,4-thiadiazole hybrid scaffolds: A potent ameliorant of carrageenan-induced inflammation by lessening proinflammatory mediators. Archiv der Pharmazie 353 (1) (2019)
Artyom Shchelokov, Nadezhda Palko, Vladimir Potemkin, Maria A Grishina, Roman Morozov, Elena Korina, Danil Uchaev, Igor Krivtsov, Oleg Bol'shakov
Adsorption of Native Amino Acids on Nanocrystalline TiO2: Physical Chemistry, QSPR, and Theoretical Modeling. Langmuir : the ACS journal of surfaces and colloids 35 (2) (2018)