Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors – An insight into the atomistic mechanisms of their antioxidant potential

por Adelusi, Temitope Isaac, Abdul-Hammed, Misbaudeen, Idris, Mukhtar Oluwaseun, Oyedele, Qudus Kehinde, Adedotun, Ibrahim Olaide
Publicado 2021

In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (M(pro))

por Falade, Victoria Adeola, Adelusi, Temitope Isaac, Adedotun, Ibrahim Olaide, Abdul-Hammed, Misbaudeen, Lawal, Teslim Alabi, Agboluaje, Saheed Alabi
Publicado 2021

A secondary approach with conventional medicines and supplements to recuperate current COVID-19 status

por Chowdhury, Apu, Sajid, Muhammad, Jahan, Nabila, Adelusi, Temitope Isaac, Maitra, Pulak, Yin, Guolian, Wu, Xudong, Gao, Yuan, Wang, Sicen
Publicado 2021

Reinstating apoptosis using putative Bcl-xL natural product inhibitors: Molecular docking and ADMETox profiling investigations

por Boyenle, Ibrahim Damilare, Ogunlana, Abdeen Tunde, Kehinde Oyedele, Abdul-Quddus, Olokodana, Babatunde Kazeem, Owolabi, Nurudeen, Salahudeen, Abdulmalik, Aderenle, Oluwafemi Timothy, Oloyede, Taiwo Oluwafisayomi, Adelusi, Temitope Isaac
Publicado 2022

A variation in KCNQ1 gene is associated with repaglinide efficacy on insulin resistance in Chinese Type 2 Diabetes Mellitus Patients

por Zhou, Xueyan, Zhu, Jing, Bao, Zejun, Shang, Zhenhai, Wang, Tao, Song, Jinfang, Sun, Juan, Li, Wei, Adelusi, Temitope Isaac, Wang, Yan, Lv, Dongmei, Lu, Qian, Yin, Xiaoxing
Publicado 2016

Docking covalent targets for drug discovery: stimulating the computer-aided drug design community of possible pitfalls and erroneous practices

por Oyedele, Abdul-Quddus Kehinde, Ogunlana, Abdeen Tunde, Boyenle, Ibrahim Damilare, Adeyemi, Ayodeji Oluwadamilare, Rita, Temionu Oluwakemi, Adelusi, Temitope Isaac, Abdul-Hammed, Misbaudeen, Elegbeleye, Oluwabamise Emmanuel, Odunitan, Tope Tunji
Publicado 2022

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations

por Adelusi, Temitope Isaac, Oyedele, Abdul-Quddus Kehinde, Monday, Ojo Emmanuel, Boyenle, Ibrahim Damilare, Idris, Mukhtar Oluwaseun, Ogunlana, Abdeen Tunde, Ayoola, Ashiru Mojeed, Fatoki, John Olabode, Kolawole, Oladipo Elijah, David, Kehinde Busuyi, Olayemi, Akintola Adebola
Publicado 2022