Binding profile of protein–ligand inhibitor complex and structure based design of new potent compounds via computer-aided virtual screening

por Shallangwa, Gideon Adamu, Adeniji, Shola Elijah
Publicado 2021

Theoretical QSAR modelling and molecular docking studies of some 4-hydroxyphenylpyruvate dioxygenase (HPPD) enzyme inhibitors potentially used as herbicides

por Tukur, Saidu, Shallangwa, Gideon Adamu, Ibrahim, Abdulkadir
Publicado 2019

QSAR and molecular docking studies of 1,3-dioxoisoindoline-4-aminoquinolines as potent antiplasmodium hybrid compounds

por Mahmud, Aliyu Wappah, Shallangwa, Gideon Adamu, Uzairu, Adamu
Publicado 2020

QSAR analysis and molecular docking simulation of norepinephrine transporter (NET) inhibitors as anti-psychotic therapeutic agents

por Olasupo, Sabitu Babatunde, Uzairu, Adamu, Shallangwa, Gideon, Uba, Sani
Publicado 2019

Molecular design of antioxidant lubricating oil additives via QSPR and analysis dynamic simulation method

por Abdulfatai, Usman, Uzairu, Adamu, Uba, Sani, Shallangwa, Gideon Adamu
Publicado 2019

In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9h-purine derivatives as Anti-proliferative agents

por Ibrahim, Muhammad Tukur, Uzairu, Adamu, Shallangwa, Gideon Adamu, Uba, Sani
Publicado 2020

Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors

por Ibrahim, Muhammad Tukur, Uzairu, Adamu, Uba, Sani, Shallangwa, Gideon Adamu
Publicado 2020

QSAR modelling and molecular docking studies for anti-cancer compounds against melanoma cell line SK-MEL-2

por Umar, Abdullahi Bello, Uzairu, Adamu, Shallangwa, Gideon Adamu, Uba, Sani
Publicado 2020

Chemoinformatic studies on some inhibitors of dopamine transporter and the receptor targeting schizophrenia for developing novel antipsychotic agents

por Olasupo, Sabitu Babatunde, Uzairu, Adamu, Shallangwa, Gideon Adamu, Uba, Sani
Publicado 2020

Theoretical design of novel antimalarial agents against P. falciparum strain, Dd(2) through the QSAR modeling of synthesized 2′-substituted triclosan derivatives

por Ibrahim, Zakari Ya'u, Uzairu, Adamu, Shallangwa, Gideon, Abechi, Stephen
Publicado 2020

Obstructing Salmonella typhi's virulence in eukaryotic cells through design of its SipB protein antagonists

por Ameji, John P., Uzairu, Adamu, Shallangwa, Gideon A., Uba, Sani
Publicado 2022

In silico studies of piperazine derivatives as potent anti-proliferative agents against PC-3 prostate cancer cell lines

por Ikwu, Fabian A., Shallangwa, Gideon A., Mamza, Paul A., Uzairu, Adamu
Publicado 2020

In silico prediction of nuclear receptor binding to polychlorinated dibenzofurans and its implication on endocrine disruption in humans and wildlife

por Akinola, Lukman K., Uzairu, Adamu, Shallangwa, Gideon A., Abechi, Stephen E.
Publicado 2021

QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate

por Edache, Emmanuel Israel, Uzairu, Adamu, Mamza, Paul Andrew, Shallangwa, Gideon Adamu
Publicado 2022

Molecular modeling and design of some β-amino alcohol grafted 1,4,5-trisubstituted 1,2,3-triazoles derivatives against chloroquine sensitive, 3D7 strain of Plasmodium falciparum

por Ibrahim, Zakari Ya'u, Uzairu, Adamu, Shallangwa, Gideon Adamu, Abechi, Stephen Eyije
Publicado 2021

Application of QSAR Method in the Design of Enhanced Antimalarial Derivatives of Azetidine-2-carbonitriles, their Molecular Docking, Drug-likeness, and SwissADME Properties

por Ibrahim, Zakari Ya’u, Uzairu, Adamu, Shallangwa, Gideon Adamu, Abechi, Stephen Eyije
Publicado 2021

Pharmacokinetic profiling of quinazoline-4(3H)-one analogs as EGFR inhibitors: 3D-QSAR modeling, molecular docking studies and the design of therapeutic agents

por Abdullahi, Sagiru Hamza, Uzairu, Adamu, Shallangwa, Gideon Adamu, Uba, Sani, Umar, Abdullahi Bello
Publicado 2023

Homology modeling, docking, and ADMET studies of benzoheterocyclic 4-aminoquinolines analogs as inhibitors of Plasmodiumfalciparum

por Ibrahim, Zakari Y., Uzairu, Adamu, Shallangwa, Gideon A., Abechi, Stephen E., Isyaku, Sulaiman
Publicado 2023

Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predic...

por Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Publicado 2022

In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

por Abdullahi, Mustapha, Uzairu, Adamu, Shallangwa, Gideon Adamu, Mamza, Paul Andrew, Ibrahim, Muhammad Tukur
Publicado 2022