424 related articles for article (PubMed ID: 35812153)
1. Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
Bakal RL; Jawarkar RD; Manwar JV; Jaiswal MS; Ghosh A; Gandhi A; Zaki MEA; Al-Hussain S; Samad A; Masand VH; Mukerjee N; Nasir Abbas Bukhari S; Sharma P; Lewaa I
Saudi Pharm J; 2022 Jun; 30(6):693-710. PubMed ID: 35812153
[TBL] [Abstract][Full Text] [Related]
2. QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CL
Jawarkar RD; Bakal RL; Zaki MEA; Al-Hussain S; Ghosh A; Gandhi A; Mukerjee N; Samad A; Masand VH; Lewaa I
Arab J Chem; 2022 Jan; 15(1):103499. PubMed ID: 34909066
[TBL] [Abstract][Full Text] [Related]
3. QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.
Jawarkar RD; Bakal RL; Mukherjee N; Ghosh A; Zaki MEA; Al-Hussain SA; Al-Mutairi AA; Samad A; Gandhi A; Masand VH
Molecules; 2022 Jul; 27(15):. PubMed ID: 35897936
[TBL] [Abstract][Full Text] [Related]
4. QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Jawarkar RD; Sharma P; Jain N; Gandhi A; Mukerjee N; Al-Mutairi AA; Zaki MEA; Al-Hussain SA; Samad A; Masand VH; Ghosh A; Bakal RL
Molecules; 2022 Aug; 27(15):. PubMed ID: 35956900
[TBL] [Abstract][Full Text] [Related]
5. In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators.
Zaki MEA; Al-Hussain SA; Al-Mutairi AA; Samad A; Ghosh A; Chaudhari S; Khatale PN; Ajmire P; Jawarkar RD
Front Pharmacol; 2023; 14():1129997. PubMed ID: 37144217
[TBL] [Abstract][Full Text] [Related]
6. Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study.
Masand VH; Akasapu S; Gandhi A; Rastija V; Patil MK
Chemometr Intell Lab Syst; 2020 Nov; 206():104172. PubMed ID: 33518858
[TBL] [Abstract][Full Text] [Related]
7. Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer's disease.
Mukerjee N; Das A; Jawarkar RD; Maitra S; Das P; Castrosanto MA; Paul S; Samad A; Zaki MEA; Al-Hussain SA; Masand VH; Hasan MM; Bukhari SNA; Perveen A; Alghamdi BS; Alexiou A; Kamal MA; Dey A; Malik S; Bakal RL; Abuzenadah AM; Ghosh A; Md Ashraf G
Front Aging Neurosci; 2022; 14():878276. PubMed ID: 36072483
[TBL] [Abstract][Full Text] [Related]
8. Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis.
Zaki MEA; Al-Hussain SA; Masand VH; Akasapu S; Bajaj SO; El-Sayed NNE; Ghosh A; Lewaa I
Pharmaceuticals (Basel); 2021 Apr; 14(4):. PubMed ID: 33924395
[TBL] [Abstract][Full Text] [Related]
9. Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and
Jawarkar RD; Zaki MEA; Al-Hussain SA; Al-Mutairi AA; Samad A; Masand V; Humane V; Mali S; Alzahrani AYA; Rashid S; Elossaily GM
J Biomol Struct Dyn; 2024 Feb; ():1-31. PubMed ID: 38385447
[TBL] [Abstract][Full Text] [Related]
10. A study on quantitative structure-activity relationship and molecular docking of metalloproteinase inhibitors based on L-tyrosine scaffold.
Abbasi M; Ramezani F; Elyasi M; Sadeghi-Aliabadi H; Amanlou M
Daru; 2015 Apr; 23(1):29. PubMed ID: 25925871
[TBL] [Abstract][Full Text] [Related]
11. QSAR analysis of sodium glucose co-transporter 2 (SGLT2) inhibitors for anti-hyperglycaemic lead development.
Gandhi A; Masand V; Zaki MEA; Al-Hussain SA; Ghorbal AB; Chapolikar A
SAR QSAR Environ Res; 2021 Sep; 32(9):731-744. PubMed ID: 34494464
[TBL] [Abstract][Full Text] [Related]
12. Identification of Potent Small-Molecule PCSK9 Inhibitors Based on Quantitative Structure-Activity Relationship, Pharmacophore Modeling, and Molecular Docking Procedure.
Mahmoudi A; Butler AE; Banach M; Jamialahmadi T; Sahebkar A
Curr Probl Cardiol; 2023 Jun; 48(6):101660. PubMed ID: 36841313
[TBL] [Abstract][Full Text] [Related]
13. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
14. A comprehension on structure guided alignment dependent 3D-QSAR modelling, and molecular dynamics simulation on 2,4-thiazolidinediones as aldose reductase inhibitors for the management of diabetic complications.
Gautam P; Bisht P; Gautam A; Gupta GD; Singh R; Verma SK
J Biomol Struct Dyn; 2023 Oct; ():1-20. PubMed ID: 37904329
[TBL] [Abstract][Full Text] [Related]
15. Pharmacophore derived 3D-QSAR, molecular docking, and simulation studies of quinoxaline derivatives as ALR2 inhibitors.
Singh Y; Kumar N; Kulkarni S; Singh S; Thareja S
J Biomol Struct Dyn; 2023 Sep; ():1-37. PubMed ID: 37698364
[TBL] [Abstract][Full Text] [Related]
16. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
17. Identification of novel NAD(P)H dehydrogenase [quinone] 1 antagonist using computational approaches.
Selvakumar R; Anantha Krishnan D; Ramakrishnan C; Velmurugan D; Gunasekaran K
J Biomol Struct Dyn; 2020 Feb; 38(3):682-696. PubMed ID: 30806580
[TBL] [Abstract][Full Text] [Related]
18. Exploring potent aldose reductase inhibitors for anti-diabetic (anti-hyperglycemic) therapy: integrating structure-based drug design, and MMGBSA approaches.
Shahab M; Zheng G; Alshabrmi FM; Bourhia M; Wondmie GF; Mohammad Salamatullah A
Front Mol Biosci; 2023; 10():1271569. PubMed ID: 38053577
[TBL] [Abstract][Full Text] [Related]
19. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
Choubey SK; Jeyaraman J
J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
[TBL] [Abstract][Full Text] [Related]
20. Identification of hydantoin based Decaprenylphosphoryl-β-D-Ribose Oxidase (DprE1) inhibitors as antimycobacterial agents using computational tools.
Mali SN; Pandey A; Bhandare RR; Shaik AB
Sci Rep; 2022 Sep; 12(1):16368. PubMed ID: 36180452
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]