Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agents Fabian Audu UgbeGideon Adamu ShallangwaIbrahim Abdulkadir Original Research 09 November 2022 Article: 21
Angiotensin converting enzyme inhibitors from medicinal plants: a molecular docking and dynamic simulation approach Olumide Samuel FadahunsiOlubukola Sinbad OlorunnisolaOluwabamise Emmanuel Elegbeleye Original Research 13 October 2022 Article: 20
Evaluation of wound healing effect of Mallotus philippensis (Lam.) Mull. Arg. by in silico multitargets directed for multiligand approach Kaumudee S. BodasChandrakant D. BagulVaibhav M. Shinde Original Research 02 October 2022 Article: 19
Pharmacophore based virtual screening of cholinesterase inhibitors: search of new potential drug candidates as antialzheimer agents Nisha LakraBalaji Wamanrao MatorePartha Pratim Roy Original Research 29 September 2022 Article: 18
Quercetin attenuates viral infections by interacting with target proteins and linked genes in chemicobiological models Md. Atiar RahmanFauzia Mahanaz ShorobiMd. Amjad Hossain Original Research 16 September 2022 Article: 17
Role of lupeol in chemosensitizing therapy-resistant prostate cancer cells by targeting MYC, β-catenin and c-FLIP: in silico and in vitro studies Santosh Kumar MauryaHoma FatmaHifzur R. Siddique Original Research 04 September 2022 Article: 16
Formulation and in-silico study of meclizine ointment as anti-eczema Wafa M. Al-MadhagiAbdulkarim K. Y. AlzomorMaria A. Mubarak Original Research 30 August 2022 Article: 15
Docking simulation and ADMET prediction based investigation on the phytochemical constituents of Noni (Morinda citrifolia) fruit as a potential anticancer drug Kaliraj ChandranDrose Ignatious ShaneThandavarayan Kathiresan Original Research 25 August 2022 Article: 14
Identification of potent and novel inhibitors against RAC1: a Rho family GTPase Geet MadhukarNaidu Subbarao Original Research 01 August 2022 Article: 13
Identification of vaccine candidate against Omicron variant of SARS-CoV-2 using immunoinformatic approaches AasimRuchika SharmaKalicharan Sharma Original Research 26 July 2022 Article: 12
Khaya grandifoliola active fraction as a source of therapeutic compounds for Alzheimer’s disease treatment: In silico validation of identified compounds Brice Ayissi OwonaFrederic N. NjayouPaul F. Moundipa Original Research 04 July 2022 Article: 11
Optimizing the Sunitinib for cardio-toxicity and thyro-toxicity by scaffold hopping approach Bhagyashri ChaudhariHarun PatelDeepali Bansode Original Research 02 July 2022 Article: 10
Investigation of the mechanism of Shen Qi Wan prescription in the treatment of T2DM via network pharmacology and molecular docking Piaopiao ZhaoXiaoxiao ZhangGuixia Liu Original Research 04 June 2022 Article: 9
Theoretical modeling and design of some pyrazolopyrimidine derivatives as Wolbachia inhibitors, targeting lymphatic filariasis and onchocerciasis Fabian Audu UgbeGideon Adamu ShallangwaIbrahim Abdulkadir Original Research 07 May 2022 Article: 8
Computational approaches for the design of novel dopamine D2 and serotonin 5-HT2A receptor dual antagonist towards schizophrenia Akash RathoreVivek AsatiSushil Kumar Kashaw Original Research 08 April 2022 Article: 7
Ofatumumab and Granzyme B as immunotoxin against CD20 antigen Fateme SefidArmina Alagheband BahramiMaryam Touhidinia Original Research 18 March 2022 Article: 6
Inhibitory effects of selected isoquinoline alkaloids against main protease (Mpro) of SARS-CoV-2, in silico study Morteza SadeghiMehran Miroliaei Original Research 14 March 2022 Article: 5
Repurposing of existing antibiotics for the treatment of diabetes mellitus Muhammad Shaiful AlamMd. Sohorab UddinS. M. Zahid Hosen Original Research 05 March 2022 Article: 4
Modelling and targeting mitochondrial protein tyrosine phosphatase 1: a computational approach Venkataraghavan RagunathanK. ChithraMeenambiga Setti Sudharsan Original Research 17 January 2022 Article: 3
Using mathematical modeling to estimate time-independent cancer chemotherapy efficacy parameters Christine PhoMadison FrielerHana M. Dobrovolny Original Research 05 December 2021 Article: 2
Investigation of phytoconstituents of Enicostemma littorale as potential glucokinase activators through molecular docking for the treatment of type 2 diabetes mellitus Altaf KhanAziz UnnisaSharuk Khan Original Research 02 December 2021 Article: 1
