Detalhe da pesquisa
1.
Fashionable Co-operative Sensing of Bivalent Zn2+ and Cd2+ in Attendance of OAc- by Use of Simple Sensor: Exploration of Molecular Logic Gate and Docking Studies.
J Fluoresc
; 32(4): 1263-1277, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-35708890
2.
Structure-based identification of galectin-1 selective modulators in dietary food polyphenols: a pharmacoinformatics approach.
Mol Divers
; 26(3): 1697-1714, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-34482478
3.
Pharmacoinformatics-based identification of transmembrane protease serine-2 inhibitors from Morus Alba as SARS-CoV-2 cell entry inhibitors.
Mol Divers
; 26(1): 265-278, 2022 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-33786727
4.
Identification of Potential Cytochrome P450 3A5 Inhibitors: An Extensive Virtual Screening through Molecular Docking, Negative Image-Based Screening, Machine Learning and Molecular Dynamics Simulation Studies.
Int J Mol Sci
; 23(16)2022 Aug 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36012627
5.
Pharmacoinformatics approach based identification of potential Nsp15 endoribonuclease modulators for SARS-CoV-2 inhibition.
Arch Biochem Biophys
; 700: 108771, 2021 03 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-33485847
6.
Structure-based identification of SARS-CoV-2 main protease inhibitors from anti-viral specific chemical libraries: an exhaustive computational screening approach.
Mol Divers
; 25(3): 1979-1997, 2021 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-33844135
7.
Screening of ß1- and ß2-Adrenergic Receptor Modulators through Advanced Pharmacoinformatics and Machine Learning Approaches.
Int J Mol Sci
; 22(20)2021 Oct 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34681845
8.
Structure-guided screening of chemical database to identify NS3-NS2B inhibitors for effective therapeutic application in dengue infection.
J Mol Recognit
; 33(7): e2838, 2020 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32060998
9.
Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study.
J Biomol Struct Dyn
; 40(9): 3899-3906, 2022 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33252031
10.
In silico identification of small molecule modulators for disruption of Hsp90-Cdc37 protein-protein interaction interface for cancer therapeutic application.
J Biomol Struct Dyn
; 40(5): 2082-2098, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33095103
11.
Identification of potent food constituents as SARS-CoV-2 papain-like protease modulators through advanced pharmacoinformatics approaches.
J Mol Graph Model
; 111: 108113, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34959151
12.
Design of a Structurally Novel Multipotent Drug Candidate by the Scaffold Architecture Technique for ACE-II, NSP15, and Mpro Protein Inhibition: Identification and Isolation of a Natural Product to Prevent the Severity of Future Variants of Covid 19 and a Colorectal Anticancer Drug.
ACS Omega
; 7(37): 33408-33422, 2022 Sep 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36157758
13.
One-pot green synthesis of ZnO nanoparticles using Scoparia Dulcis plant extract for antimicrobial and antioxidant activities.
Appl Nanosci
; : 1-11, 2022 Sep 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36120603
14.
Identification of Novel Ribonucleotide Reductase Inhibitors for Therapeutic Application in Bile Tract Cancer: An Advanced Pharmacoinformatics Study.
Biomolecules
; 12(9)2022 09 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36139117
15.
First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites.
Sci Rep
; 12(1): 21700, 2022 Dec 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36522441
16.
Insight into the screening of potential beta-lactamase inhibitors as anti-bacterial chemical agents through pharmacoinformatics study.
J Biomol Struct Dyn
; 39(3): 923-942, 2021 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-31984863
17.
Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors.
Biophys Chem
; 270: 106537, 2021 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33450550
18.
Design, synthesis, molecular modelling and antiproliferative evaluation of novel benzothiazole trihybrids.
Biophys Chem
; 278: 106664, 2021 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34438243
19.
In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme.
J Biomol Struct Dyn
; 39(14): 5290-5303, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-32608329
20.
Matairesinol, an active constituent of HC9 polyherbal formulation, exhibits HDAC8 inhibitory and anticancer activity.
Biophys Chem
; 273: 106588, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33848944