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In Silico Pharmacology|July 7, 2021
In silico analysis of echinocandins binding to the main proteases of coronaviruses PEDV (3CLpro) and SARS-CoV-2 (Mpro)Gérard Vergoten, Christian BaillyIn Silico Pharmacology|December 9, 2020
Are losartan and imatinib effective against SARS-CoV2 pathogenesis? A pathophysiologic-based in silico studyReza Nejat, Ahmad Shahir SadrIn Silico Pharmacology|February 1, 2021
BACE1 and cholinesterase inhibitory activities of compounds from Cajanus cajan and Citrus reticulata: an in silico studyKayode Ezekiel Adewole, Ahmed Adebayo IsholaIn Silico Pharmacology|February 1, 2021
An in silico approach to study the interaction of BHA with selected steroid hormone receptors and investigating it's agonistic and antagonistic propertiesSubin Balachandran, R N BinithaIn Silico Pharmacology|February 19, 2021
Computational insight into the protective mechanism of Allium iranicum Wendelbo. Alliaceae in a mouse model of Staphylococcosis: focus on dietary phytocannabinoid trans-caryophylleneLayth Jasim Mohammed, Khosrow Chehri, Isaac Karimi, et al.In Silico Pharmacology|March 14, 2019
Quantum chemical calculation and binding modes of H1R; a combined study of molecular docking and DFT for suggesting therapeutically potent H1R antagonistYasir Mohamed Riza, Md Rimon Parves, Fahmida Alam Tithi, et al.In Silico Pharmacology|April 18, 2022
Computational approaches for the design of novel dopamine D2 and serotonin 5-HT2A receptor dual antagonist towards schizophreniaAkash Rathore, Vivek Asati, Mitali Mishra, et al.In Silico Pharmacology|March 6, 2023
In-vivo and in-silico studies revealed the molecular mechanisms of Colocasia esculenta phenolics as novel chemotherapy against benign prostatic hyperplasia via inhibition of 5α-reductase and α1-adrenoceptorDeusdedit Tusubira, Jonasi Munezero, Peter Chinedu Agu, et al.In Silico Pharmacology|November 17, 2022
Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agentsFabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, et al.In Silico Pharmacology|March 27, 2023
Computational design, molecular properties, ADME, and toxicological analysis of substituted 2,6-diarylidene cyclohexanone analogs as potent pyridoxal kinase inhibitorsFabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu, et al.Pageof 79