Results 121 to 130 of about 26,166,385 (205)

Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer. [PDF]

Molecules, 2023
Ejaz SA, Aziz M, Fawzy Ramadan M, Fayyaz A, Bilal MS.   +4 more
europepmc   +1 more source

Pharmacophore-based virtual screening approaches to identify novel molecular candidates against EGFR through comprehensive computational approaches and in-vitro studies. [PDF]

Front Pharmacol, 2022
Opo FADM, Moulay M, Zari A, Alqaderi A, Alkarim S, Zari T, Bhuiyan MA, Mahmoud MM, Aljoud F, Suhail M, Edris S, Ramadan WS, Kamal MA, Nemmiche S, Ahammad F.   +14 more
europepmc   +1 more source

Quantum Pharmacophore-Based Virtual Screening Enables Prospective Discovery of Chemotype-Diverse Dengue NS5 Inhibitors. [PDF]

J Chem Inf Model
Martinov MN, Van Den Bergh A, Jacoby E, Kirov I, Nashev LG, Herasymenko O, Arrowsmith CH, Slater JW, Grell T, Maksimchuk K, Hack MD, Wu Z, Ohadi D, Borrenberghs D, Van Loock M, Mulakala C, Goethals O.   +16 more
europepmc   +1 more source

Identification of Novel Mitochondrial Pyruvate Carrier Inhibitors by Homology Modeling and Pharmacophore-Based Virtual Screening. [PDF]

Biomedicines, 2022
Hegazy L, Gill LE, Pyles KD, Kaiho C, Kchouk S, Finck BN, McCommis KS, Elgendy B.   +7 more
europepmc   +1 more source

In silico repurposing of clinically approved drugs as potential BRAF inhibitors: a pharmacophore-based virtual screening and experimental investigation. [PDF]

Cancer Cell Int
Amini H, Ebrahimi N, Mousavirahimi S, Zamani M, Bagherzadeh K, Montazeri H, Azizian H.   +6 more
europepmc   +1 more source

A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of S. epidermidis TcaR Inhibitors. [PDF]

Pharmaceuticals (Basel), 2022
Vuppala S, Kim J, Joo BS, Choi JM, Jang J.   +4 more
europepmc   +1 more source

Pharmacophore-Based Virtual Screening for Identification of Adenosine Deaminase Inhibitors. [PDF]

Iran J Pharm Res
Ahmadi S, Khoramjouy M, Jafarian A, Shahhosseini S, Amidi S, Kobarfard F.   +5 more
europepmc   +1 more source

Rational approaches to discover SARS-CoV-2/ACE2 interaction inhibitors: Pharmacophore-based virtual screening, molecular docking, molecular dynamics and binding free energy studies. [PDF]

J Mol Liq, 2023
Yazdani M, Jafari A, Mahdian S, Namazi M, Gharaghani S.   +4 more
europepmc   +1 more source

Pharmacophore-based virtual screening, molecular docking, MD simulation, MM-GBSA energy calculation and DFT analysis for the <i>in silico</i> discovery of a SaFtsZ inhibitor. [PDF]

RSC Adv
T S, Dora Babu N, K N A, Shaik S, M S, Thapa S.   +5 more
europepmc   +1 more source

Structure-Based Design and Pharmacophore-Based Virtual Screening of Combinatorial Library of Triclosan Analogues Active against Enoyl-Acyl Carrier Protein Reductase of Plasmodium falciparum with Favourable ADME Profiles. [PDF]

Int J Mol Sci, 2023
Bieri C, Esmel A, Keita M, Owono LCO, Dali B, Megnassan E, Miertus S, Frecer V.   +7 more
europepmc   +1 more source