We virtually design here new subnanomolar range antimalarial, inhibitors of plasmodium falciparum M1 Aminopeptidase (PfA-M1), by means of structure-based molecular design. We developed the complexation QSAR models from Hydroxamic Acid derivatives (AHO). A linear correlation was e...
Open access
Research Article10.9734/jpri/2022/v34i607271
We virtually design here an important new weedkiller Cycloalka[d]quinazoline-2,4dione−Benzoxazinones (CQB), inhibitors of Protoporphyrinogen IX Oxidase (PPO). Based on computer-assisted combinatorial chemistry techniques, docking, 3D-QSAR and pharmacophore models we first enumera...
Open access
Research Article10.9734/jpri/2022/v34i567251
We report here the design of new inhibitors against human monoamine oxidase (hMAO-B) as potential treatment of Parkinson’s disease. We have completed computer-aided molecular design of MAO-B inhibitors by In situ modification of the reference crystal structure of 7-(3-chlorobenzy...
Open access
Research Article10.9734/jpri/2024/v36i107592
Tuberculosis (TB) is a deep public health concern worldwide worsened by reported multi drugresistant (MDR) and extensively drug- resistant (XDR) stralins of Mycobacterium tuberculosis, the causative agent of the disease. A new class of thiadiazole inhibitors were reported to inhi...
Open access
Research Article10.9734/jpri/2023/v35i287446
Eric Ziki, Ludovic Akonan, Koffi Charles Kouman, Brice Dali, Eugene Megnassan, Rita Kakou-Yao, Abodou Jules Tenon, Vladimir Frecer & Stanislav Miertus·Journal of Pharmaceutical Research International·2023
Background: We have carried out virtual design of coumarinyl-substituted sulfonamides (CSAM) analogs as inhibitors of human carbonic anhydrase II (hCA II) endowed with favorable predicted pharmacokinetic profiles and potential therapeutic effects against glaucoma. Methods: modify...
Open access
Research Article10.9734/jpri/2023/v35i247424
Aims: Polyketide synthase 13 (Pks13) is an essential enzyme in the synthesis of mycolic acids biosynthesis pathway of Mycobacterium tuberculosis (Mtb). Therefore, Pks13 is a promising drug target for tuberculosis treatment. Here we report the in silico design and evaluation of no...
Open access
Research Article10.9734/jpri/2022/v34i567250
Issouf Soro, Manchondenin Soro, Ludovic Akonan, Niaré Adama, Boris Davy Bekono, Raymond Kre N’guessan & Eugene Megnassan·Asian Journal of Chemical Sciences·2026
Alzheimer’s disease (AD) is a neurodegenerative disorder associated with cholinergic dysfunction, and butyrylcholinesterase (BuChE) becomes increasingly relevant as disease pathology progresses. This study aimed to design sulfenylated 5-aminopyrazole (APS) analogues as potential...
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Research Article10.9734/ajocs/2026/v16i5478
Issouf Fofana, Aboubakar Traoré, Bafétigué Ouattara, Akassa Marius Bernard Djako, N'goran Urbain Florent Niangoran, Souleymane Konate & Eugene Megnassan·Journal of Pharmaceutical Research International·2025
Alzheimer's disease (AD) accounts for 60 to 70% of dementias worldwide. This condition is primarily associated with the decrease in acetylcholine (ACh) levels, due to the action of human acetylcholinesterase (AChE). The lack of a curative treatment for Alzheimer's disease undersc...
Open access
Research Article10.9734/jpri/2025/v37i127776
Aubin N’GUESSAN, Ludovic Akonan, Désiré MELEDJE, Hermann N’Guessan, Gabin Placide ALLANGBA, Logbo MOUSSE, Nahossé Ziao, Melalie Keita, Raymond KRE & Eugene Megnassan·Journal of Pharmaceutical Research International·2025
This study developed a random forest (RF) model based on a large and diverse dataset to classify whether organic chemicals or drugs are respiratory toxicants. Indeed, the concerns regarding drug-induced respiratory remain a major cause of drug candidate failure in clinical trials...
Open access
Research Article10.9734/jpri/2025/v37i127774